3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one

C11H14O2 — CID 16663697

IUPAC3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one
SMILESC=C1CCCC12C=C(OC)C(=O)C2
InChIInChI=1S/C11H14O2/c1-8-4-3-5-11(8)6-9(12)10(7-11)13-2/h7H,1,3-6H2,2H3
InChIKeyQSIGDDIBRMOAIT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds1

About 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one

3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one (PubChem CID 16663697) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one
PubChem CID16663697
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one
SMILESC=C1CCCC12C=C(OC)C(=O)C2
InChIInChI=1S/C11H14O2/c1-8-4-3-5-11(8)6-9(12)10(7-11)13-2/h7H,1,3-6H2,2H3
InChIKeyQSIGDDIBRMOAIT-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-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

3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
CID 11321703
1-(4,4-Dimethylcyclopent-1-en-1-yl)-2-ethoxyprop-2-en-1-one
CID 71377796
2-ethoxy-3a-methyl-5,6-dihydro-4H-inden-1-one
CID 134933024
Asperterrein
CID 145720735
1-Methoxy-4a,6-dimethyl-3,4,7,8-tetrahydronaphthalen-2-one
CID 11579349
2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 121014676
1,4-Dihydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 19710581
1,2,3,4-Tetrahydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 19710589
2-Cyclopentyl-7-methoxycyclohepta-2,4,6-trien-1-one
CID 146178967
(3aS,6aS)-3a-methyl-6-methylidene-2-propan-2-yloxy-5,6a-dihydro-4H-pentalen-1-one
CID 10560211
(1R,8S)-4-methoxytricyclo[6.2.1.02,7]undeca-2(7),4-diene-3,6-dione
CID 10750706
(3aS,6aS)-3a,6a-dimethyl-6-methylidene-2-propan-2-yloxy-4,5-dihydropentalen-1-one
CID 10822815

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one?
The IUPAC name of 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one (CID 16663697) is 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one is C=C1CCCC12C=C(OC)C(=O)C2.
What is the InChIKey of 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one?
The InChIKey is QSIGDDIBRMOAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-4-3-5-11(8)6-9(12)10(7-11)13-2/h7H,1,3-6H2,2H3.
What are the key properties of 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one?
3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-methylidenespiro[4.4]non-3-en-2-one is sourced from PubChem (CID 16663697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).