9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione

C18H21NO3 — CID 24840731

IUPAC9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESC=CCN1C(=O)CC2(CC(C)OC(c3ccccc3)C2)C1=O
InChIInChI=1S/C18H21NO3/c1-3-9-19-16(20)12-18(17(19)21)10-13(2)22-15(11-18)14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3
InChIKeyJVKAUCZOPMWRQQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds3

About 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione

9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24840731) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24840731
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESC=CCN1C(=O)CC2(CC(C)OC(c3ccccc3)C2)C1=O
InChIInChI=1S/C18H21NO3/c1-3-9-19-16(20)12-18(17(19)21)10-13(2)22-15(11-18)14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3
InChIKeyJVKAUCZOPMWRQQ-UHFFFAOYSA-N
XLogP2.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione (CID 24840731) is 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione is C=CCN1C(=O)CC2(CC(C)OC(c3ccccc3)C2)C1=O.
What is the InChIKey of 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is JVKAUCZOPMWRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-9-19-16(20)12-18(17(19)21)10-13(2)22-15(11-18)14-7-5-4-6-8-14/h3-8,13,15H,1,9-12H2,2H3.
What are the key properties of 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione?
9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 299.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-phenyl-2-prop-2-enyl-8-oxa-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24840731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).