4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione

C13H15NO3 — CID 132527110

IUPAC4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione
SMILESC=CC1(C)CN(OC)C(=O)C12C=CC(=O)C=C2
InChIInChI=1S/C13H15NO3/c1-4-12(2)9-14(17-3)11(16)13(12)7-5-10(15)6-8-13/h4-8H,1,9H2,2-3H3
InChIKeyHLBPXASFGCEMBC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.26
Rot. Bonds2

About 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione

4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione (PubChem CID 132527110) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione.

Molecular Properties

Compound Name4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione
PubChem CID132527110
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione
SMILESC=CC1(C)CN(OC)C(=O)C12C=CC(=O)C=C2
InChIInChI=1S/C13H15NO3/c1-4-12(2)9-14(17-3)11(16)13(12)7-5-10(15)6-8-13/h4-8H,1,9H2,2-3H3
InChIKeyHLBPXASFGCEMBC-UHFFFAOYSA-N
XLogP1.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
3,3-diethyl-1-methoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 118963012
5-benzyl-7-ethenyl-7-methyl-5-azaspiro[2.4]heptan-4-one
CID 67974419
(4R)-4-ethenyl-2,2-dimethoxyspiro[4.5]deca-6,9-dien-8-one
CID 102052605
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
3-ethenyl-4,4-dimethylcyclohexa-2,5-dien-1-one
CID 101379478
cyclohexa-2,5-diene-1,4-dione;methoxymethane
CID 66691489
2-(1-methyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
CID 23584377
(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one
CID 163188885
4-ethenyl-1,3,3,4-tetramethylpiperidine
CID 91530882
(1S,2S,2'S)-2'-ethenyl-2',4-dimethyl-1-oxospiro[1λ4,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 10801393
2'-ethenyl-2',4-dimethyl-1-oxospiro[1lambda4,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 15214537

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione?
The IUPAC name of 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione (CID 132527110) is 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione.
What is the SMILES notation for 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione?
The canonical SMILES for 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione is C=CC1(C)CN(OC)C(=O)C12C=CC(=O)C=C2.
What is the InChIKey of 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione?
The InChIKey is HLBPXASFGCEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-12(2)9-14(17-3)11(16)13(12)7-5-10(15)6-8-13/h4-8H,1,9H2,2-3H3.
What are the key properties of 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione?
4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione has a molecular weight of 233.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methoxy-4-methyl-2-azaspiro[4.5]deca-6,9-diene-1,8-dione is sourced from PubChem (CID 132527110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).