2-methylidene-3-prop-2-enylcyclohexan-1-one

C10H14O — CID 130030327

IUPAC2-methylidene-3-prop-2-enylcyclohexan-1-one
SMILESC=CCC1CCCC(=O)C1=C
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(11)8(9)2/h3,9H,1-2,4-7H2
InChIKeyQFNSKIDANWUXQW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About 2-methylidene-3-prop-2-enylcyclohexan-1-one

2-methylidene-3-prop-2-enylcyclohexan-1-one (PubChem CID 130030327) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methylidene-3-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-methylidene-3-prop-2-enylcyclohexan-1-one
PubChem CID130030327
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-methylidene-3-prop-2-enylcyclohexan-1-one
SMILESC=CCC1CCCC(=O)C1=C
InChIInChI=1S/C10H14O/c1-3-5-9-6-4-7-10(11)8(9)2/h3,9H,1-2,4-7H2
InChIKeyQFNSKIDANWUXQW-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-methylidene-3-prop-2-enylcyclohexan-1-one (CID 130030327) is 2-methylidene-3-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-methylidene-3-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-methylidene-3-prop-2-enylcyclohexan-1-one is C=CCC1CCCC(=O)C1=C.
What is the InChIKey of 2-methylidene-3-prop-2-enylcyclohexan-1-one?
The InChIKey is QFNSKIDANWUXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-5-9-6-4-7-10(11)8(9)2/h3,9H,1-2,4-7H2.
What are the key properties of 2-methylidene-3-prop-2-enylcyclohexan-1-one?
2-methylidene-3-prop-2-enylcyclohexan-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 130030327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).