4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one

C10H15NO — CID 129172277

IUPAC4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one
SMILESCCCN1C(=O)C(C)C2(C)C=C12
InChIInChI=1S/C10H15NO/c1-4-5-11-8-6-10(8,3)7(2)9(11)12/h6-7H,4-5H2,1-3H3
InChIKeyKYVLMGRNPXBHRV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.78
Rot. Bonds2

About 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one

4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one (PubChem CID 129172277) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one
PubChem CID129172277
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one
SMILESCCCN1C(=O)C(C)C2(C)C=C12
InChIInChI=1S/C10H15NO/c1-4-5-11-8-6-10(8,3)7(2)9(11)12/h6-7H,4-5H2,1-3H3
InChIKeyKYVLMGRNPXBHRV-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one 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

1,3,3-Trimethyl-2-methylene-5-pyrrolidone
CID 89461222
1,3,4-Trimethyl-5-methylidene-4-(trifluoromethyl)pyrrolidin-2-one
CID 23594536
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-5-one
CID 45088850
6,6-Dimethyl-1,2,3,7-tetrahydroindolizin-2-ylium-5-one
CID 135043684
1-Ethyl-3-methyl-5-methylidenepyrrolidin-2-one
CID 18736407
5-Methylidene-1-(2-methylpropyl)pyrrolidin-2-one
CID 59657422
1,3,4-Trimethyl-5-methylidenepyrrolidin-2-one
CID 59888498
1,4-Dimethyl-5-propa-1,2-dienylidenepyrrolidin-2-one
CID 91303297
1-(3,3-Dimethylbutyl)-5-methylidenepyrrolidin-2-one
CID 126765759
4,4,5-Trimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one
CID 129172247
3-Methyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
CID 132172095
4-Methyl-5-methylidene-1-propan-2-ylpyrrolidin-2-one
CID 134548810

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one?
The IUPAC name of 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one (CID 129172277) is 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one.
What is the SMILES notation for 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one?
The canonical SMILES for 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one is CCCN1C(=O)C(C)C2(C)C=C12.
What is the InChIKey of 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one?
The InChIKey is KYVLMGRNPXBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-5-11-8-6-10(8,3)7(2)9(11)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one?
4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-propyl-2-azabicyclo[3.1.0]hex-1(6)-en-3-one is sourced from PubChem (CID 129172277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).