1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one

C16H14Cl2N2O2 — CID 3703762

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one
SMILESO=C1CCCN1c1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H14Cl2N2O2/c17-12-4-1-5-13(18)11(12)10-19-8-2-6-14(16(19)22)20-9-3-7-15(20)21/h1-2,4-6,8H,3,7,9-10H2
InChIKeyGRQAPFPBBLZNPZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.33
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one

1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one (PubChem CID 3703762) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one
PubChem CID3703762
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one
SMILESO=C1CCCN1c1cccn(Cc2c(Cl)cccc2Cl)c1=O
InChIInChI=1S/C16H14Cl2N2O2/c17-12-4-1-5-13(18)11(12)10-19-8-2-6-14(16(19)22)20-9-3-7-15(20)21/h1-2,4-6,8H,3,7,9-10H2
InChIKeyGRQAPFPBBLZNPZ-UHFFFAOYSA-N
XLogP3.33
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one (CID 3703762) is 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one is O=C1CCCN1c1cccn(Cc2c(Cl)cccc2Cl)c1=O.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one?
The InChIKey is GRQAPFPBBLZNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c17-12-4-1-5-13(18)11(12)10-19-8-2-6-14(16(19)22)20-9-3-7-15(20)21/h1-2,4-6,8H,3,7,9-10H2.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one?
1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one has a molecular weight of 337.21 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)pyridin-2-one is sourced from PubChem (CID 3703762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).