2-(pyridin-4-ylmethyl)pyrrolidin-3-one

C10H12N2O — CID 83827595

IUPAC2-(pyridin-4-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCNC1Cc1ccncc1
InChIInChI=1S/C10H12N2O/c13-10-3-6-12-9(10)7-8-1-4-11-5-2-8/h1-2,4-5,9,12H,3,6-7H2
InChIKeyYFVBSFUGGUIVTR-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.56
Rot. Bonds2

About 2-(pyridin-4-ylmethyl)pyrrolidin-3-one

2-(pyridin-4-ylmethyl)pyrrolidin-3-one (PubChem CID 83827595) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(pyridin-4-ylmethyl)pyrrolidin-3-one
PubChem CID83827595
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-(pyridin-4-ylmethyl)pyrrolidin-3-one
SMILESO=C1CCNC1Cc1ccncc1
InChIInChI=1S/C10H12N2O/c13-10-3-6-12-9(10)7-8-1-4-11-5-2-8/h1-2,4-5,9,12H,3,6-7H2
InChIKeyYFVBSFUGGUIVTR-UHFFFAOYSA-N
XLogP0.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethyl)pyrrolidin-3-one?
The IUPAC name of 2-(pyridin-4-ylmethyl)pyrrolidin-3-one (CID 83827595) is 2-(pyridin-4-ylmethyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(pyridin-4-ylmethyl)pyrrolidin-3-one?
The canonical SMILES for 2-(pyridin-4-ylmethyl)pyrrolidin-3-one is O=C1CCNC1Cc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethyl)pyrrolidin-3-one?
The InChIKey is YFVBSFUGGUIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-3-6-12-9(10)7-8-1-4-11-5-2-8/h1-2,4-5,9,12H,3,6-7H2.
What are the key properties of 2-(pyridin-4-ylmethyl)pyrrolidin-3-one?
2-(pyridin-4-ylmethyl)pyrrolidin-3-one has a molecular weight of 176.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethyl)pyrrolidin-3-one is sourced from PubChem (CID 83827595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).