3-prop-1-en-2-ylcyclohex-2-en-1-one

C9H12O — CID 10931482

IUPAC3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=CC(=O)CCC1
InChIInChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h6H,1,3-5H2,2H3
InChIKeyUUNUZZWFOWJGBV-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.24
Rot. Bonds1

About 3-prop-1-en-2-ylcyclohex-2-en-1-one

3-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 10931482) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID10931482
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=CC(=O)CCC1
InChIInChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h6H,1,3-5H2,2H3
InChIKeyUUNUZZWFOWJGBV-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 3-prop-1-en-2-ylcyclohex-2-en-1-one (CID 10931482) is 3-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1=CC(=O)CCC1.
What is the InChIKey of 3-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is UUNUZZWFOWJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7(2)8-4-3-5-9(10)6-8/h6H,1,3-5H2,2H3.
What are the key properties of 3-prop-1-en-2-ylcyclohex-2-en-1-one?
3-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 10931482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).