3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one

C14H17NO — CID 100947193

IUPAC3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC12CN(Cc3ccccc3)C(=O)C1(C)C2
InChIInChI=1S/C14H17NO/c1-13-9-14(13,2)12(16)15(10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeySHJRLKPGFMAFSA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds2

About 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one

3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 100947193) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID100947193
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
SMILESCC12CN(Cc3ccccc3)C(=O)C1(C)C2
InChIInChI=1S/C14H17NO/c1-13-9-14(13,2)12(16)15(10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeySHJRLKPGFMAFSA-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-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

4-benzyl-2,2,7,7-tetramethyl-1,4-diazepan-5-one
CID 57087301
5-benzyl-5-azaspiro[2.3]hexan-6-one
CID 11492070
(3S)-1-benzyl-3-ethyl-3-fluoroazetidin-2-one
CID 101455407
2-benzyl-2,7-diazaspiro[3.5]nonan-3-one
CID 10421390
5-benzyl-7-ethenyl-7-methyl-5-azaspiro[2.4]heptan-4-one
CID 67974419
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
(1S,5R)-3-benzyl-1-bromo-5-methyl-2-methylidene-3-azabicyclo[3.1.0]hexane
CID 101087031
(3S)-1-benzyl-3-(difluoromethyl)-3-methylpiperazin-2-one
CID 166542989
(3aS,6aS)-5-benzyl-3a,6a-dimethyl-4,6-dihydrofuro[3,4-c]pyrrole-1,3-dione
CID 98080696
(3R,4S)-1-benzyl-4-hydroxy-3,5,5-trimethylpiperidin-2-one
CID 102330721
(3R,4R)-1-benzyl-3-chloro-4-(dichloromethyl)-3-methylpyrrolidin-2-one
CID 100987586

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one (CID 100947193) is 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is CC12CN(Cc3ccccc3)C(=O)C1(C)C2.
What is the InChIKey of 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is SHJRLKPGFMAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-13-9-14(13,2)12(16)15(10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one?
3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,5-dimethyl-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 100947193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).