N-benzyl-N-methylnitrous amide

C8H10N2O — CID 13643

IUPACN-benzyl-N-methylnitrous amide
SMILESCN(Cc1ccccc1)N=O
InChIInChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyNGXUJKBJBFLCAR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.80
Rot. Bonds3

About N-benzyl-N-methylnitrous amide

N-benzyl-N-methylnitrous amide (PubChem CID 13643) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-benzyl-N-methylnitrous amide.

Molecular Properties

Compound NameN-benzyl-N-methylnitrous amide
PubChem CID13643
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-benzyl-N-methylnitrous amide
SMILESCN(Cc1ccccc1)N=O
InChIInChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyNGXUJKBJBFLCAR-UHFFFAOYSA-N
XLogP1.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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benzene;N,N-dimethyl-1-phenylmethanamine;ethane
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CID 69138278
N,N-dimethyl-1-phenylmethanamine;gold(3+);dichloride
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1-benzyl-1,2,2-trimethylhydrazine
CID 23468062
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CID 10879302
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylnitrous amide?
The IUPAC name of N-benzyl-N-methylnitrous amide (CID 13643) is N-benzyl-N-methylnitrous amide.
What is the SMILES notation for N-benzyl-N-methylnitrous amide?
The canonical SMILES for N-benzyl-N-methylnitrous amide is CN(Cc1ccccc1)N=O.
What is the InChIKey of N-benzyl-N-methylnitrous amide?
The InChIKey is NGXUJKBJBFLCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10(9-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of N-benzyl-N-methylnitrous amide?
N-benzyl-N-methylnitrous amide has a molecular weight of 150.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylnitrous amide is sourced from PubChem (CID 13643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).