2-pyridin-2-yldodecan-3-one

C17H27NO — CID 66446795

IUPAC2-pyridin-2-yldodecan-3-one
SMILESCCCCCCCCCC(=O)C(C)c1ccccn1
InChIInChI=1S/C17H27NO/c1-3-4-5-6-7-8-9-13-17(19)15(2)16-12-10-11-14-18-16/h10-12,14-15H,3-9,13H2,1-2H3
InChIKeyPZUCOJJMHZKAQC-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.89
Rot. Bonds10

About 2-pyridin-2-yldodecan-3-one

2-pyridin-2-yldodecan-3-one (PubChem CID 66446795) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-pyridin-2-yldodecan-3-one.

Molecular Properties

Compound Name2-pyridin-2-yldodecan-3-one
PubChem CID66446795
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-pyridin-2-yldodecan-3-one
SMILESCCCCCCCCCC(=O)C(C)c1ccccn1
InChIInChI=1S/C17H27NO/c1-3-4-5-6-7-8-9-13-17(19)15(2)16-12-10-11-14-18-16/h10-12,14-15H,3-9,13H2,1-2H3
InChIKeyPZUCOJJMHZKAQC-UHFFFAOYSA-N
XLogP4.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pyridin-2-yldodecan-3-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

3-pyridin-2-yldecan-4-one
CID 151300777
5-methyl-2-pyridin-2-ylheptan-3-one
CID 114875173
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
4-propyl-2-pyridin-2-ylheptan-3-one
CID 82987035
bis(hexadecanoic acid);4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenol
CID 21125852
4-ethyl-2-pyridin-2-ylhexan-3-one
CID 66448746
2-pyridin-2-ylnonan-3-amine
CID 114753071
2-(2H-triazol-4-yl)decan-3-one
CID 67833342
2-tridecan-6-ylpyridine
CID 139295924
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
pyridin-2-yl hexadecanoate;hydrochloride
CID 70209736
1-pyridin-2-ylhexan-1-one
CID 556347

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yldodecan-3-one?
The IUPAC name of 2-pyridin-2-yldodecan-3-one (CID 66446795) is 2-pyridin-2-yldodecan-3-one.
What is the SMILES notation for 2-pyridin-2-yldodecan-3-one?
The canonical SMILES for 2-pyridin-2-yldodecan-3-one is CCCCCCCCCC(=O)C(C)c1ccccn1.
What is the InChIKey of 2-pyridin-2-yldodecan-3-one?
The InChIKey is PZUCOJJMHZKAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-5-6-7-8-9-13-17(19)15(2)16-12-10-11-14-18-16/h10-12,14-15H,3-9,13H2,1-2H3.
What are the key properties of 2-pyridin-2-yldodecan-3-one?
2-pyridin-2-yldodecan-3-one has a molecular weight of 261.41 g/mol, XLogP of 4.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yldodecan-3-one is sourced from PubChem (CID 66446795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).