1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one

C15H24N2O — CID 166501057

IUPAC1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one
SMILESCC(C)C1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C15H24N2O/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18/h5-8,11-14H,9-10H2,1-4H3
InChIKeyULFLIJKQOZDYNU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.39
Rot. Bonds3

About 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one

1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one (PubChem CID 166501057) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one
PubChem CID166501057
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one
SMILESCC(C)C1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C15H24N2O/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18/h5-8,11-14H,9-10H2,1-4H3
InChIKeyULFLIJKQOZDYNU-UHFFFAOYSA-N
XLogP2.39
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72887547
1-[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-methylbut-2-en-1-one
CID 72881073
1-(2,3-Dimethylhexan-2-yl)pyridin-2-one
CID 89872444
1-(1,4-Dimethylpyrrolidin-3-yl)pyridin-2-one
CID 146568968
1-(1-Methylpyrrolidin-3-yl)pyridin-2-one
CID 153566737
1-(4-Methyl-1-propan-2-ylpyrrolidin-3-yl)pyridin-2-one
CID 167251701
1-[1,4-Di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane
CID 167632129
1-[2-(1-Methylpyrrolidin-3-yl)ethyl]pyridin-2-one
CID 175319486
1-(3-Propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl)pyridin-2-one
CID 176691899
5-Amino-1-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 55163084
5-Amino-1-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 65713041
5-Amino-1-[3-(2-propan-2-ylpyrrolidin-1-yl)propyl]pyridin-2-one
CID 65715682

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one?
The IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one (CID 166501057) is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one.
What is the SMILES notation for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one?
The canonical SMILES for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one is CC(C)C1CN(C(C)C)CC1n1ccccc1=O.
What is the InChIKey of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one?
The InChIKey is ULFLIJKQOZDYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18/h5-8,11-14H,9-10H2,1-4H3.
What are the key properties of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one?
1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one has a molecular weight of 248.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one is sourced from PubChem (CID 166501057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).