6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C15H15NO3 — CID 64688348

IUPAC6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(=O)c3ccccc3)C(=O)C21
InChIInChI=1S/C15H15NO3/c1-15(2)11-12(15)14(19)16(13(11)18)8-10(17)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3
InChIKeyNZWVMRSTOVIZTL-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.51
Rot. Bonds3

About 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione

6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64688348) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64688348
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(CC(=O)c3ccccc3)C(=O)C21
InChIInChI=1S/C15H15NO3/c1-15(2)11-12(15)14(19)16(13(11)18)8-10(17)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3
InChIKeyNZWVMRSTOVIZTL-UHFFFAOYSA-N
XLogP1.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione 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-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835117
6,6-dimethyl-3-(2-oxobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834929
1-phenacylpyrrolidine-2,5-dione
CID 717114
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835302
3-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835678
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
5-cyclobutyl-1,5-dimethyl-3-phenacylimidazolidine-2,4-dione
CID 78324504
4,4-dimethyl-1-phenacylpyrrolidin-2-one
CID 176908615
5-methyl-5-(3-methylcyclohexyl)-3-phenacylimidazolidine-2,4-dione
CID 90358274
(5R)-5-methyl-5-(4-methylphenyl)-3-phenacylimidazolidine-2,4-dione
CID 2711028
6-butyl-3-phenacyl-1,3-diazabicyclo[3.1.0]hexane-2,4-dione
CID 11108912
8-phenacyl-8-azaspiro[4.5]decane-7,9-dione
CID 46934489

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64688348) is 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(CC(=O)c3ccccc3)C(=O)C21.
What is the InChIKey of 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is NZWVMRSTOVIZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-15(2)11-12(15)14(19)16(13(11)18)8-10(17)9-6-4-3-5-7-9/h3-7,11-12H,8H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-phenacyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64688348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).