1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one

C14H17NO — CID 106656072

IUPAC1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1=CCCCC1
InChIInChI=1S/C14H17NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-6,10-11H,1-3,7-9H2
InChIKeyMZIBMAPHFAPPFW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.08
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one

1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 106656072) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID106656072
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one
SMILESO=C(CCc1cccnc1)C1=CCCCC1
InChIInChI=1S/C14H17NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-6,10-11H,1-3,7-9H2
InChIKeyMZIBMAPHFAPPFW-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-3-ylpropan-1-one
CID 102648686
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
1-(2-chlorophenyl)-3-pyridin-3-ylpropan-1-one
CID 105081413
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
1-(cyclohepten-1-yl)-3-(2-methylphenyl)propan-1-one
CID 106656000
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
1,1,1-trifluoro-4-pyridin-3-ylbutan-2-one
CID 129453005
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylacetamide
CID 164643241
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one (CID 106656072) is 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one is O=C(CCc1cccnc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is MZIBMAPHFAPPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-6,10-11H,1-3,7-9H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one?
1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 106656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).