CAS 2047-91-8 | Cyclopent[b]indole, 1,2,3,4-tetrahydro- | CAS Number 2047-91-8

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2047-91-8 | Cyclopent[b]indole, 1,2,3,4-tetrahydro-

CAS No: 2047-91-8 Catalog No: AG0029NM MDL No:MFCD00225387

Product Description

Catalog Number:

AG0029NM

Chemical Name:

Cyclopent[b]indole, 1,2,3,4-tetrahydro-

CAS Number:

2047-91-8

Molecular Formula:

C11H11N

Molecular Weight:

157.2117

MDL Number:

MFCD00225387

IUPAC Name:

1,2,3,4-tetrahydrocyclopenta[b]indole

InChI:

InChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2

InChI Key:

HZDXFZHFEASSBM-UHFFFAOYSA-N

SMILES:

C1Cc2c(C1)c1c([nH]2)cccc1

NSC Number:

112674

Properties

Complexity:

178

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

157.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

157.216g/mol

Monoisotopic Mass:

157.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Design and synthesis of 2,3,4,9-tetrahydro-1H-carbazole and 1,2,3,4-tetrahydro-cyclopenta[b]indole derivatives as non-nucleoside inhibitors of hepatitis C virus NS5B RNA-dependent RNA polymerase.	Bioorganic & medicinal chemistry letters 20060501