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21231-50-5 | 2H-Indol-2-one,3-(cyclopentylimino)-1,3-dihydro-
CAS No: 21231-50-5 Catalog No: AG007ONT MDL No:
Product Description
Catalog Number:
AG007ONT
Chemical Name:
2H-Indol-2-one,3-(cyclopentylimino)-1,3-dihydro-
CAS Number:
21231-50-5
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
3-cyclopentylimino-1H-indol-2-one
InChI:
InChI=1S/C13H14N2O/c16-13-12(14-9-5-1-2-6-9)10-7-3-4-8-11(10)15-13/h3-4,7-9H,1-2,5-6H2,(H,14,15,16)
InChI Key:
RRIZOROGTXPCBC-UHFFFAOYSA-N
SMILES:
O=C1N=c2c(=C1NC1CCCC1)cccc2
NSC Number:
117918
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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