1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one

C10H12N2O2 — CID 130517287

IUPAC1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
SMILESO=C1CCC(Cn2ccccc2=O)N1
InChIInChI=1S/C10H12N2O2/c13-9-5-4-8(11-9)7-12-6-2-1-3-10(12)14/h1-3,6,8H,4-5,7H2,(H,11,13)
InChIKeyYKZLOQPPWNTHSU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.13
Rot. Bonds2

About 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one

1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one (PubChem CID 130517287) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
PubChem CID130517287
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
SMILESO=C1CCC(Cn2ccccc2=O)N1
InChIInChI=1S/C10H12N2O2/c13-9-5-4-8(11-9)7-12-6-2-1-3-10(12)14/h1-3,6,8H,4-5,7H2,(H,11,13)
InChIKeyYKZLOQPPWNTHSU-UHFFFAOYSA-N
XLogP0.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one (CID 130517287) is 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one is O=C1CCC(Cn2ccccc2=O)N1.
What is the InChIKey of 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one?
The InChIKey is YKZLOQPPWNTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-9-5-4-8(11-9)7-12-6-2-1-3-10(12)14/h1-3,6,8H,4-5,7H2,(H,11,13).
What are the key properties of 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one?
1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 130517287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).