1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one

C11H16N2O — CID 146568968

IUPAC1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one
SMILESCC1CN(C)CC1n1ccccc1=O
InChIInChI=1S/C11H16N2O/c1-9-7-12(2)8-10(9)13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVNQIQGQLKCDZGB-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.97
Rot. Bonds1

About 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one

1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one (PubChem CID 146568968) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one
PubChem CID146568968
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one
SMILESCC1CN(C)CC1n1ccccc1=O
InChIInChI=1S/C11H16N2O/c1-9-7-12(2)8-10(9)13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyVNQIQGQLKCDZGB-UHFFFAOYSA-N
XLogP0.97
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one?
The IUPAC name of 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one (CID 146568968) is 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one?
The canonical SMILES for 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one is CC1CN(C)CC1n1ccccc1=O.
What is the InChIKey of 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one?
The InChIKey is VNQIQGQLKCDZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-7-12(2)8-10(9)13-6-4-3-5-11(13)14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one?
1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrrolidin-3-yl)pyridin-2-one is sourced from PubChem (CID 146568968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).