3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one

C11H14O3 — CID 16663585

IUPAC3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one
SMILESC=C1CCCC12CC(OC)=C(O)C2=O
InChIInChI=1S/C11H14O3/c1-7-4-3-5-11(7)6-8(14-2)9(12)10(11)13/h12H,1,3-6H2,2H3
InChIKeyVOQFNQNTNASOAC-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds1

About 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one

3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one (PubChem CID 16663585) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one
PubChem CID16663585
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one
SMILESC=C1CCCC12CC(OC)=C(O)C2=O
InChIInChI=1S/C11H14O3/c1-7-4-3-5-11(7)6-8(14-2)9(12)10(11)13/h12H,1,3-6H2,2H3
InChIKeyVOQFNQNTNASOAC-UHFFFAOYSA-N
XLogP2.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 121014676
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-ene-1,4-dione
CID 10956030
(9E)-2,3-dimethoxy-9-(methoxymethylidene)spiro[4.4]non-2-en-4-one
CID 11746678
(5R)-2,3-dimethoxy-9-methylidenespiro[4.4]non-2-en-4-one
CID 102086927

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The IUPAC name of 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one (CID 16663585) is 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one.
What is the SMILES notation for 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The canonical SMILES for 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one is C=C1CCCC12CC(OC)=C(O)C2=O.
What is the InChIKey of 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one?
The InChIKey is VOQFNQNTNASOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-3-5-11(7)6-8(14-2)9(12)10(11)13/h12H,1,3-6H2,2H3.
What are the key properties of 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one?
3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one has a molecular weight of 194.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methoxy-9-methylidenespiro[4.4]non-2-en-4-one is sourced from PubChem (CID 16663585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).