1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C15H18N2O2 — CID 2977525

IUPAC1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H18N2O2/c18-14-10-12(15(19)16-8-4-5-9-16)11-17(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyWTPDEQSAPVJZSP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.66
Rot. Bonds2

About 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 2977525) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID2977525
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC1
InChIInChI=1S/C15H18N2O2/c18-14-10-12(15(19)16-8-4-5-9-16)11-17(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyWTPDEQSAPVJZSP-UHFFFAOYSA-N
XLogP1.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
4-[3-(hydroxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110633189
4-[3-(fluoromethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 155976717
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
4-[3-(methoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 90505007
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 2977525) is 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCCC1.
What is the InChIKey of 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WTPDEQSAPVJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-10-12(15(19)16-8-4-5-9-16)11-17(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 2977525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).