1-pyridin-3-ylundecan-1-one

C16H25NO — CID 19756112

IUPAC1-pyridin-3-ylundecan-1-one
SMILESCCCCCCCCCCC(=O)c1cccnc1
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-9-12-16(18)15-11-10-13-17-14-15/h10-11,13-14H,2-9,12H2,1H3
InChIKeyGHEIMKMMGTYNPF-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.80
Rot. Bonds10

About 1-pyridin-3-ylundecan-1-one

1-pyridin-3-ylundecan-1-one (PubChem CID 19756112) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-pyridin-3-ylundecan-1-one.

Molecular Properties

Compound Name1-pyridin-3-ylundecan-1-one
PubChem CID19756112
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-pyridin-3-ylundecan-1-one
SMILESCCCCCCCCCCC(=O)c1cccnc1
InChIInChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-9-12-16(18)15-11-10-13-17-14-15/h10-11,13-14H,2-9,12H2,1H3
InChIKeyGHEIMKMMGTYNPF-UHFFFAOYSA-N
XLogP4.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-pyridin-3-ylundecan-1-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-pyridin-3-ylpentan-1-one
CID 12648543
5-ethoxy-1-pyridin-3-ylpentan-1-one
CID 121009142
7,7-dimethyl-1-pyridin-3-yloctane-1,6-dione
CID 157216244
dodecanoyl pyridine-3-carboxylate
CID 23450156
7,7-diamino-1-pyridin-3-ylheptan-1-one
CID 142992432
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
1-pyridin-4-ylhexadecan-1-one
CID 102412701
1-phenylheptadecan-1-one
CID 577626
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
heptyl pyridine-3-carboxylate
CID 531638

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylundecan-1-one?
The IUPAC name of 1-pyridin-3-ylundecan-1-one (CID 19756112) is 1-pyridin-3-ylundecan-1-one.
What is the SMILES notation for 1-pyridin-3-ylundecan-1-one?
The canonical SMILES for 1-pyridin-3-ylundecan-1-one is CCCCCCCCCCC(=O)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylundecan-1-one?
The InChIKey is GHEIMKMMGTYNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-3-4-5-6-7-8-9-12-16(18)15-11-10-13-17-14-15/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 1-pyridin-3-ylundecan-1-one?
1-pyridin-3-ylundecan-1-one has a molecular weight of 247.38 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylundecan-1-one is sourced from PubChem (CID 19756112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).