4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

C10H14N2O — CID 57290322

IUPAC4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1cc(CN2CCCC2)cc[nH]1
InChIInChI=1S/C10H14N2O/c13-10-7-9(3-4-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13)
InChIKeyPGKURLYQBHBXOZ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.97
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one

4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (PubChem CID 57290322) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
PubChem CID57290322
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one
SMILESO=c1cc(CN2CCCC2)cc[nH]1
InChIInChI=1S/C10H14N2O/c13-10-7-9(3-4-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13)
InChIKeyPGKURLYQBHBXOZ-UHFFFAOYSA-N
XLogP0.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one (CID 57290322) is 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is O=c1cc(CN2CCCC2)cc[nH]1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
The InChIKey is PGKURLYQBHBXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-7-9(3-4-11-10)8-12-5-1-2-6-12/h3-4,7H,1-2,5-6,8H2,(H,11,13).
What are the key properties of 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one?
4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57290322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).