(9Z)-9-ethylidenespiro[4.4]nonan-4-one

C11H16O — CID 131431997

IUPAC(9Z)-9-ethylidenespiro[4.4]nonan-4-one
SMILESC/C=C1/CCCC12CCCC2=O
InChIInChI=1S/C11H16O/c1-2-9-5-3-7-11(9)8-4-6-10(11)12/h2H,3-8H2,1H3/b9-2-
InChIKeyJAVJNDPRBRIULW-MBXJOHMKSA-N
MW164.25 g/mol
LogP2.86
Rot. Bonds

About (9Z)-9-ethylidenespiro[4.4]nonan-4-one

(9Z)-9-ethylidenespiro[4.4]nonan-4-one (PubChem CID 131431997) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (9Z)-9-ethylidenespiro[4.4]nonan-4-one.

Molecular Properties

Compound Name(9Z)-9-ethylidenespiro[4.4]nonan-4-one
PubChem CID131431997
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(9Z)-9-ethylidenespiro[4.4]nonan-4-one
SMILESC/C=C1/CCCC12CCCC2=O
InChIInChI=1S/C11H16O/c1-2-9-5-3-7-11(9)8-4-6-10(11)12/h2H,3-8H2,1H3/b9-2-
InChIKeyJAVJNDPRBRIULW-MBXJOHMKSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (9Z)-9-ethylidenespiro[4.4]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
spiro[5.6]dodecane-5,12-dione
CID 534624
(2Z)-2-ethylidene-1,1-dimethylcyclohexane
CID 59883733
2-methyl-2-azaspiro[4.5]decane-1,6-dione
CID 121207625
(5R,7R)-7-propan-2-ylspiro[4.5]decane-4,10-dione
CID 10998243
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
(2E)-2-ethylidene-3,3-dimethylcyclohexan-1-one
CID 24976474
(2R,3S)-2-prop-1-enylspiro[2.4]heptan-7-one
CID 54046597
spiro[4.5]decane-6,8,10-trione
CID 141056738
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
(4aS,8aS)-8a-methyl-4a-prop-2-enyl-2,3,4,5,7,8-hexahydronaphthalene-1,6-dione
CID 135020573
2,3,3-trihydroxy-2-methylcyclohexan-1-one
CID 67931536

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-ethylidenespiro[4.4]nonan-4-one?
The IUPAC name of (9Z)-9-ethylidenespiro[4.4]nonan-4-one (CID 131431997) is (9Z)-9-ethylidenespiro[4.4]nonan-4-one.
What is the SMILES notation for (9Z)-9-ethylidenespiro[4.4]nonan-4-one?
The canonical SMILES for (9Z)-9-ethylidenespiro[4.4]nonan-4-one is C/C=C1/CCCC12CCCC2=O.
What is the InChIKey of (9Z)-9-ethylidenespiro[4.4]nonan-4-one?
The InChIKey is JAVJNDPRBRIULW-MBXJOHMKSA-N. The full InChI is InChI=1S/C11H16O/c1-2-9-5-3-7-11(9)8-4-6-10(11)12/h2H,3-8H2,1H3/b9-2-.
What are the key properties of (9Z)-9-ethylidenespiro[4.4]nonan-4-one?
(9Z)-9-ethylidenespiro[4.4]nonan-4-one has a molecular weight of 164.25 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-ethylidenespiro[4.4]nonan-4-one is sourced from PubChem (CID 131431997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).