1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one

C13H16ClNO — CID 70380945

IUPAC1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-12-7-5-11(6-8-12)3-1-9-15-10-2-4-13(15)16/h5-8H,1-4,9-10H2
InChIKeyALMIJSXWCNLEPR-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.89
Rot. Bonds4

About 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one

1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one (PubChem CID 70380945) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
PubChem CID70380945
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-12-7-5-11(6-8-12)3-1-9-15-10-2-4-13(15)16/h5-8H,1-4,9-10H2
InChIKeyALMIJSXWCNLEPR-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
N'-[(4-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 18588547
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049
1-[2-(4-aminophenyl)ethyl]pyrrolidin-2-one
CID 10584340
1-[3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211906
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
1-(4-chlorophenyl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]thiourea
CID 100757829
2-[(4-chlorophenyl)methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111132096
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one (CID 70380945) is 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one is O=C1CCCN1CCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one?
The InChIKey is ALMIJSXWCNLEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-7-5-11(6-8-12)3-1-9-15-10-2-4-13(15)16/h5-8H,1-4,9-10H2.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one?
1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one has a molecular weight of 237.73 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 70380945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).