(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one

C11H19NO — CID 138748514

IUPAC(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCCCC[C@@H]1C=CC(=O)NC1(C)C
InChIInChI=1S/C11H19NO/c1-4-5-6-9-7-8-10(13)12-11(9,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyMEGBIDZQQKBDSQ-SECBINFHSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one

(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 138748514) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one
PubChem CID138748514
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCCCC[C@@H]1C=CC(=O)NC1(C)C
InChIInChI=1S/C11H19NO/c1-4-5-6-9-7-8-10(13)12-11(9,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyMEGBIDZQQKBDSQ-SECBINFHSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one (CID 138748514) is (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one is CCCC[C@@H]1C=CC(=O)NC1(C)C.
What is the InChIKey of (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is MEGBIDZQQKBDSQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-5-6-9-7-8-10(13)12-11(9,2)3/h7-9H,4-6H2,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one?
(3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butyl-2,2-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 138748514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).