1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one

C12H19N3O — CID 103576927

IUPAC1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CN(CCn2ccccc2=O)CC1N
InChIInChI=1S/C12H19N3O/c1-10-8-14(9-11(10)13)6-7-15-5-3-2-4-12(15)16/h2-5,10-11H,6-9,13H2,1H3
InChIKeyDJRBCXBNJWWIJW-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.13
Rot. Bonds3

About 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one

1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 103576927) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID103576927
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCC1CN(CCn2ccccc2=O)CC1N
InChIInChI=1S/C12H19N3O/c1-10-8-14(9-11(10)13)6-7-15-5-3-2-4-12(15)16/h2-5,10-11H,6-9,13H2,1H3
InChIKeyDJRBCXBNJWWIJW-UHFFFAOYSA-N
XLogP0.13
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one (CID 103576927) is 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one is CC1CN(CCn2ccccc2=O)CC1N.
What is the InChIKey of 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is DJRBCXBNJWWIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-8-14(9-11(10)13)6-7-15-5-3-2-4-12(15)16/h2-5,10-11H,6-9,13H2,1H3.
What are the key properties of 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one?
1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 103576927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).