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1353973-56-4 | 2-Cyclopropylamino-1-(1H-pyrrol-2-yl)-ethanone
CAS No: 1353973-56-4 Catalog No: AG01FA2G MDL No:
Product Description
Catalog Number:
AG01FA2G
Chemical Name:
2-Cyclopropylamino-1-(1H-pyrrol-2-yl)-ethanone
CAS Number:
1353973-56-4
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
2-(cyclopropylamino)-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C9H12N2O/c12-9(6-11-7-3-4-7)8-2-1-5-10-8/h1-2,5,7,10-11H,3-4,6H2
InChI Key:
KNLSNBWEZGTKLN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc[nH]1)CNC1CC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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