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69343-70-0 | 2-Pyrrolidinone,1-heptyl-
CAS No: 69343-70-0 Catalog No: AG006FUS MDL No:
Product Description
Catalog Number:
AG006FUS
Chemical Name:
2-Pyrrolidinone,1-heptyl-
CAS Number:
69343-70-0
Molecular Formula:
C11H21NO
Molecular Weight:
183.2905
IUPAC Name:
1-heptylpyrrolidin-2-one
InChI:
InChI=1S/C11H21NO/c1-2-3-4-5-6-9-12-10-7-8-11(12)13/h2-10H2,1H3
InChI Key:
OKYCNPJFMLCRMY-UHFFFAOYSA-N
SMILES:
CCCCCCCN1CCCC1=O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.295g/mol
Monoisotopic Mass:
183.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| QSAR analyses of 3-(4-benzylpiperidin-1-yl)-N-phenylpropylamine derivatives as potent CCR5 antagonists. | Journal of chemical information and modeling 20050101 |
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