1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

C15H17ClN2O2 — CID 102530474

IUPAC1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1ccccc1Cl)N1CCCC1=O
InChIInChI=1S/C15H17ClN2O2/c16-12-6-2-1-5-11(12)15(17-9-3-7-13(17)19)18-10-4-8-14(18)20/h1-2,5-6,15H,3-4,7-10H2
InChIKeyOKIDXOYPGAIHFF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.58
Rot. Bonds3

About 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 102530474) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID102530474
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1ccccc1Cl)N1CCCC1=O
InChIInChI=1S/C15H17ClN2O2/c16-12-6-2-1-5-11(12)15(17-9-3-7-13(17)19)18-10-4-8-14(18)20/h1-2,5-6,15H,3-4,7-10H2
InChIKeyOKIDXOYPGAIHFF-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 102530474) is 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1C(c1ccccc1Cl)N1CCCC1=O.
What is the InChIKey of 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is OKIDXOYPGAIHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-6-2-1-5-11(12)15(17-9-3-7-13(17)19)18-10-4-8-14(18)20/h1-2,5-6,15H,3-4,7-10H2.
What are the key properties of 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 292.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 102530474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).