4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C15H18N2O2 — CID 78982970

IUPAC4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2ccccc2)CN1
InChIInChI=1S/C15H18N2O2/c18-14-9-12(10-16-14)15(19)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)
InChIKeyPPMHHYJTQUREFX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds2

About 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one

4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 78982970) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID78982970
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2c2ccccc2)CN1
InChIInChI=1S/C15H18N2O2/c18-14-9-12(10-16-14)15(19)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18)
InChIKeyPPMHHYJTQUREFX-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
4-(2-cyclopentylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78983172
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
2-[1-(5-oxopyrrolidine-3-carbonyl)piperidin-2-yl]acetic acid
CID 83192498
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
CID 51081806
4-[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]pyrrolidin-2-one
CID 54586108
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
4-[2-(hydroxymethyl)azepane-1-carbonyl]pyrrolidin-2-one
CID 116636786
5-(2-cyclopentylacetyl)-4-phenyl-1,5-diazecan-2-one
CID 110200135

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 78982970) is 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2c2ccccc2)CN1.
What is the InChIKey of 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is PPMHHYJTQUREFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-9-12(10-16-14)15(19)17-8-4-7-13(17)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,18).
What are the key properties of 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 78982970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).