1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one

C12H18O — CID 116659708

IUPAC1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
SMILESO=C(CC1=CCCCC1)CC1CC1
InChIInChI=1S/C12H18O/c13-12(9-11-6-7-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2
InChIKeyYTSUPMOQEWSVAH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.25
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one

1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one (PubChem CID 116659708) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
PubChem CID116659708
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one
SMILESO=C(CC1=CCCCC1)CC1CC1
InChIInChI=1S/C12H18O/c13-12(9-11-6-7-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2
InChIKeyYTSUPMOQEWSVAH-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
1-(cyclohexen-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116659683
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
2-[8-[2-(cyclohexen-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611872
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
1-(cycloocten-1-yl)-3-methylbutan-2-one
CID 147027331
1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
CID 130802985
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(cyclohexen-1-yl)-6-methylheptan-2-one
CID 116659759
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one (CID 116659708) is 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one is O=C(CC1=CCCCC1)CC1CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one?
The InChIKey is YTSUPMOQEWSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c13-12(9-11-6-7-11)8-10-4-2-1-3-5-10/h4,11H,1-3,5-9H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one?
1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one has a molecular weight of 178.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-cyclopropylpropan-2-one is sourced from PubChem (CID 116659708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).