1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one

C12H16N2O — CID 122232138

IUPAC1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one
SMILESCCC(c1ccccn1)N1CCCC1=O
InChIInChI=1S/C12H16N2O/c1-2-11(10-6-3-4-8-13-10)14-9-5-7-12(14)15/h3-4,6,8,11H,2,5,7,9H2,1H3
InChIKeyGMRYCYLXVFEZMS-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.16
Rot. Bonds3

About 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one

1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one (PubChem CID 122232138) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one
PubChem CID122232138
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one
SMILESCCC(c1ccccn1)N1CCCC1=O
InChIInChI=1S/C12H16N2O/c1-2-11(10-6-3-4-8-13-10)14-9-5-7-12(14)15/h3-4,6,8,11H,2,5,7,9H2,1H3
InChIKeyGMRYCYLXVFEZMS-UHFFFAOYSA-N
XLogP2.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one (CID 122232138) is 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one is CCC(c1ccccn1)N1CCCC1=O.
What is the InChIKey of 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one?
The InChIKey is GMRYCYLXVFEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-11(10-6-3-4-8-13-10)14-9-5-7-12(14)15/h3-4,6,8,11H,2,5,7,9H2,1H3.
What are the key properties of 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one?
1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 122232138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).