hexane;1H-pyridin-2-one

C11H19NO — CID 175013137

IUPAChexane;1H-pyridin-2-one
SMILESCCCCCC.O=c1cccc[nH]1
InChIInChI=1S/C6H14.C5H5NO/c1-3-5-6-4-2;7-5-3-1-2-4-6-5/h3-6H2,1-2H3;1-4H,(H,6,7)
InChIKeyIJVLWTGOQRYGML-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.96
Rot. Bonds3

About hexane;1H-pyridin-2-one

hexane;1H-pyridin-2-one (PubChem CID 175013137) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is hexane;1H-pyridin-2-one.

Molecular Properties

Compound Namehexane;1H-pyridin-2-one
PubChem CID175013137
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namehexane;1H-pyridin-2-one
SMILESCCCCCC.O=c1cccc[nH]1
InChIInChI=1S/C6H14.C5H5NO/c1-3-5-6-4-2;7-5-3-1-2-4-6-5/h3-6H2,1-2H3;1-4H,(H,6,7)
InChIKeyIJVLWTGOQRYGML-UHFFFAOYSA-N
XLogP2.96
TPSA32.86 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hexane;1H-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

dioxotungsten;octane;1H-pyridin-2-one
CID 175210750
ethanol;bis(1H-pyridin-2-one)
CID 174827377
(211C)1H-pyridin-2-one
CID 11788262
hydron;1H-pyridin-2-one
CID 131852568
dioctyl benzene-1,2-dicarboxylate;1H-pyridin-2-one
CID 175778873
1H-pyridin-2-one;titanium;hydrate
CID 87617254
4,5-di(nonyl)-1H-imidazole;1H-pyridin-2-one
CID 160507940
2-pentyl-1H-azonine
CID 174935963
3-nonyl-1H-pyridin-2-one
CID 91411158
6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
CID 87792012
3-pentoxy-1H-pyridin-2-one
CID 67377382
3-hexan-2-yl-1H-pyridin-2-one
CID 146209312

Frequently Asked Questions

What is the IUPAC name of hexane;1H-pyridin-2-one?
The IUPAC name of hexane;1H-pyridin-2-one (CID 175013137) is hexane;1H-pyridin-2-one.
What is the SMILES notation for hexane;1H-pyridin-2-one?
The canonical SMILES for hexane;1H-pyridin-2-one is CCCCCC.O=c1cccc[nH]1.
What is the InChIKey of hexane;1H-pyridin-2-one?
The InChIKey is IJVLWTGOQRYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H5NO/c1-3-5-6-4-2;7-5-3-1-2-4-6-5/h3-6H2,1-2H3;1-4H,(H,6,7).
What are the key properties of hexane;1H-pyridin-2-one?
hexane;1H-pyridin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;1H-pyridin-2-one is sourced from PubChem (CID 175013137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).