1-(2,2-dimethylpropyl)-2-nitrosobenzene

C11H15NO — CID 175307439

IUPAC1-(2,2-dimethylpropyl)-2-nitrosobenzene
SMILESCC(C)(C)Cc1ccccc1N=O
InChIInChI=1S/C11H15NO/c1-11(2,3)8-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3
InChIKeyHQGJKTGQYPTINO-UHFFFAOYSA-N
MW177.25 g/mol
LogP3.67
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-nitrosobenzene

1-(2,2-dimethylpropyl)-2-nitrosobenzene (PubChem CID 175307439) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-nitrosobenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-nitrosobenzene
PubChem CID175307439
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2,2-dimethylpropyl)-2-nitrosobenzene
SMILESCC(C)(C)Cc1ccccc1N=O
InChIInChI=1S/C11H15NO/c1-11(2,3)8-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3
InChIKeyHQGJKTGQYPTINO-UHFFFAOYSA-N
XLogP3.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-dimethylpropyl)-2-nitrosobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-nitrosobenzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-nitrosobenzene (CID 175307439) is 1-(2,2-dimethylpropyl)-2-nitrosobenzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-nitrosobenzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-nitrosobenzene is CC(C)(C)Cc1ccccc1N=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-nitrosobenzene?
The InChIKey is HQGJKTGQYPTINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2,3)8-9-6-4-5-7-10(9)12-13/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-nitrosobenzene?
1-(2,2-dimethylpropyl)-2-nitrosobenzene has a molecular weight of 177.25 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-nitrosobenzene is sourced from PubChem (CID 175307439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).