1-(cyclohexen-1-yl)propan-1-one

C9H14O — CID 573011

IUPAC1-(cyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCCCC1
InChIInChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyUZKJRXTYIKFJQV-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.47
Rot. Bonds2

About 1-(cyclohexen-1-yl)propan-1-one

1-(cyclohexen-1-yl)propan-1-one (PubChem CID 573011) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)propan-1-one
PubChem CID573011
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(cyclohexen-1-yl)propan-1-one
SMILESCCC(=O)C1=CCCCC1
InChIInChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3
InChIKeyUZKJRXTYIKFJQV-UHFFFAOYSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)propan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)propan-1-one (CID 573011) is 1-(cyclohexen-1-yl)propan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)propan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)propan-1-one is CCC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)propan-1-one?
The InChIKey is UZKJRXTYIKFJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)propan-1-one?
1-(cyclohexen-1-yl)propan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)propan-1-one is sourced from PubChem (CID 573011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).