1-(3-cyclohexylprop-2-ynyl)pyridin-2-one

C14H17NO — CID 71485704

IUPAC1-(3-cyclohexylprop-2-ynyl)pyridin-2-one
SMILESO=c1ccccn1CC#CC1CCCCC1
InChIInChI=1S/C14H17NO/c16-14-10-4-5-11-15(14)12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,7-8,12H2
InChIKeyWPCDALRMPMXGMC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.43
Rot. Bonds1

About 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one

1-(3-cyclohexylprop-2-ynyl)pyridin-2-one (PubChem CID 71485704) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-cyclohexylprop-2-ynyl)pyridin-2-one
PubChem CID71485704
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(3-cyclohexylprop-2-ynyl)pyridin-2-one
SMILESO=c1ccccn1CC#CC1CCCCC1
InChIInChI=1S/C14H17NO/c16-14-10-4-5-11-15(14)12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,7-8,12H2
InChIKeyWPCDALRMPMXGMC-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-(2-amino-2-cyclopentylethyl)pyridin-2-one
CID 104747056
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
N-cyclopentyl-N-cyclopropyl-2-(2-oxo-1-pyridinyl)acetamide
CID 75414353
N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119303149
1-[2-[[2-(hydroxymethyl)cyclohexyl]methylamino]ethyl]pyridin-2-one
CID 82897390
1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one
CID 82907204
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-[(5-oxopyrrolidin-2-yl)methyl]pyridin-2-one
CID 130517287

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one?
The IUPAC name of 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one (CID 71485704) is 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one.
What is the SMILES notation for 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one?
The canonical SMILES for 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one is O=c1ccccn1CC#CC1CCCCC1.
What is the InChIKey of 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one?
The InChIKey is WPCDALRMPMXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-10-4-5-11-15(14)12-6-9-13-7-2-1-3-8-13/h4-5,10-11,13H,1-3,7-8,12H2.
What are the key properties of 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one?
1-(3-cyclohexylprop-2-ynyl)pyridin-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylprop-2-ynyl)pyridin-2-one is sourced from PubChem (CID 71485704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).