3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C16H19NO2 — CID 14068960

IUPAC3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC(C)(C)CN1C(=O)C2CC2(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-15(2,3)10-17-13(18)12-9-16(12,14(17)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyWOHXKGHJJLXDKM-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.36
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 14068960) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID14068960
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC(C)(C)CN1C(=O)C2CC2(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO2/c1-15(2,3)10-17-13(18)12-9-16(12,14(17)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyWOHXKGHJJLXDKM-UHFFFAOYSA-N
XLogP2.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

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Related Compounds

4-[(1R)-2,2-diphenylcyclopropyl]pyridine
CID 7103626
3-benzyl-1-(oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 66803821
3-benzyl-1-(3-methylphenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
CID 14838169
(1R,5R)-3-methylsulfonyl-1-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 125489294
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 7263656
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198
1-chloro-4-(1,2-diphenylcyclopropyl)benzene
CID 166440166
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242132
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242129
1-(4-hydroxy-2,2-dimethylbutyl)-3-phenylpyrrolidine-2,5-dione
CID 106146031
1-(2,2-dimethylpropyl)-2,5-dimethyl-5-phenylpiperazine
CID 64935365

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 14068960) is 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC(C)(C)CN1C(=O)C2CC2(c2ccccc2)C1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is WOHXKGHJJLXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-15(2,3)10-17-13(18)12-9-16(12,14(17)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 257.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 14068960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).