4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one

C14H19ClN2O — CID 82193209

IUPAC4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(N)C1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3
InChIKeySQLZZSIQRPSTSU-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.74
Rot. Bonds4

About 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one

4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one (PubChem CID 82193209) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
PubChem CID82193209
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(N)C1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3
InChIKeySQLZZSIQRPSTSU-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
CID 82193210
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
6-butyl-4-(2-chlorophenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 24715649
4-benzyl-1-butylazetidin-2-one
CID 86190057
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
(2R,3R)-2-(2-chlorophenyl)-1-(2-methoxyethyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 110087321
4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 82193266
(2R)-3-acetyl-2-(2-chlorophenyl)-1-hexyl-4-hydroxy-2H-pyrrol-5-one
CID 7387591
4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
CID 104505155
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one (CID 82193209) is 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one is CCCCN1C(=O)CC(N)C1c1ccccc1Cl.
What is the InChIKey of 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one?
The InChIKey is SQLZZSIQRPSTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3.
What are the key properties of 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one?
4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one has a molecular weight of 266.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 82193209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).