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

C10H14O — CID 141361227

IUPAC2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=C(C)C(=O)CCC1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-6-10(11)8(9)3/h1,4-6H2,2-3H3
InChIKeyXJHIBNPMZATSGM-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds1

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

2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 141361227) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID141361227
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1=C(C)C(=O)CCC1
InChIInChI=1S/C10H14O/c1-7(2)9-5-4-6-10(11)8(9)3/h1,4-6H2,2-3H3
InChIKeyXJHIBNPMZATSGM-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one (CID 141361227) is 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1=C(C)C(=O)CCC1.
What is the InChIKey of 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is XJHIBNPMZATSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-7(2)9-5-4-6-10(11)8(9)3/h1,4-6H2,2-3H3.
What are the key properties of 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one?
2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 141361227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).