1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one

C12H18N2O — CID 175319486

IUPAC1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one
SMILESCN1CCC(CCn2ccccc2=O)C1
InChIInChI=1S/C12H18N2O/c1-13-8-5-11(10-13)6-9-14-7-3-2-4-12(14)15/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyGWCSSPZMEAMHIA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.19
Rot. Bonds3

About 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one

1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one (PubChem CID 175319486) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one
PubChem CID175319486
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one
SMILESCN1CCC(CCn2ccccc2=O)C1
InChIInChI=1S/C12H18N2O/c1-13-8-5-11(10-13)6-9-14-7-3-2-4-12(14)15/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyGWCSSPZMEAMHIA-UHFFFAOYSA-N
XLogP1.19
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one (CID 175319486) is 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one is CN1CCC(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one?
The InChIKey is GWCSSPZMEAMHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13-8-5-11(10-13)6-9-14-7-3-2-4-12(14)15/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one?
1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrrolidin-3-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 175319486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).