3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

C19H19NO3 — CID 135365373

IUPAC3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESC=C(C)CC1COC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19NO3/c1-14(2)12-15-13-23-19(10-8-17(21)9-11-19)20(18(15)22)16-6-4-3-5-7-16/h3-11,15H,1,12-13H2,2H3
InChIKeyVKYPGDOPSRZXEN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione

3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (PubChem CID 135365373) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.

Molecular Properties

Compound Name3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
PubChem CID135365373
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione
SMILESC=C(C)CC1COC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H19NO3/c1-14(2)12-15-13-23-19(10-8-17(21)9-11-19)20(18(15)22)16-6-4-3-5-7-16/h3-11,15H,1,12-13H2,2H3
InChIKeyVKYPGDOPSRZXEN-UHFFFAOYSA-N
XLogP3.02
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The IUPAC name of 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione (CID 135365373) is 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione.
What is the SMILES notation for 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The canonical SMILES for 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is C=C(C)CC1COC2(C=CC(=O)C=C2)N(c2ccccc2)C1=O.
What is the InChIKey of 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
The InChIKey is VKYPGDOPSRZXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14(2)12-15-13-23-19(10-8-17(21)9-11-19)20(18(15)22)16-6-4-3-5-7-16/h3-11,15H,1,12-13H2,2H3.
What are the key properties of 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione?
3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione has a molecular weight of 309.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enyl)-5-phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,9-dione is sourced from PubChem (CID 135365373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).