4-methyl-1-pyridin-2-ylheptan-2-one

C13H19NO — CID 62620777

IUPAC4-methyl-1-pyridin-2-ylheptan-2-one
SMILESCCCC(C)CC(=O)Cc1ccccn1
InChIInChI=1S/C13H19NO/c1-3-6-11(2)9-13(15)10-12-7-4-5-8-14-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyNAQRGGBRVQPLLW-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.02
Rot. Bonds6

About 4-methyl-1-pyridin-2-ylheptan-2-one

4-methyl-1-pyridin-2-ylheptan-2-one (PubChem CID 62620777) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-methyl-1-pyridin-2-ylheptan-2-one.

Molecular Properties

Compound Name4-methyl-1-pyridin-2-ylheptan-2-one
PubChem CID62620777
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-methyl-1-pyridin-2-ylheptan-2-one
SMILESCCCC(C)CC(=O)Cc1ccccn1
InChIInChI=1S/C13H19NO/c1-3-6-11(2)9-13(15)10-12-7-4-5-8-14-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3
InChIKeyNAQRGGBRVQPLLW-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-pyridin-2-ylheptan-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

5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398
4-amino-1-pyridin-2-ylhexan-2-one
CID 116609167
1-pyridin-2-yldecan-2-one
CID 62622628
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
4-methylidene-1-pyridin-2-ylhexan-2-one
CID 66045043
N-pentan-2-yl-2-(pyridin-2-ylmethylamino)propanamide
CID 43112506
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyridin-2-ylheptan-2-one?
The IUPAC name of 4-methyl-1-pyridin-2-ylheptan-2-one (CID 62620777) is 4-methyl-1-pyridin-2-ylheptan-2-one.
What is the SMILES notation for 4-methyl-1-pyridin-2-ylheptan-2-one?
The canonical SMILES for 4-methyl-1-pyridin-2-ylheptan-2-one is CCCC(C)CC(=O)Cc1ccccn1.
What is the InChIKey of 4-methyl-1-pyridin-2-ylheptan-2-one?
The InChIKey is NAQRGGBRVQPLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-6-11(2)9-13(15)10-12-7-4-5-8-14-12/h4-5,7-8,11H,3,6,9-10H2,1-2H3.
What are the key properties of 4-methyl-1-pyridin-2-ylheptan-2-one?
4-methyl-1-pyridin-2-ylheptan-2-one has a molecular weight of 205.30 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyridin-2-ylheptan-2-one is sourced from PubChem (CID 62620777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).