N-methyl-N-phenylnitrous amide

C7H8N2O — CID 11957

IUPACN-methyl-N-phenylnitrous amide
SMILESCN(N=O)c1ccccc1
InChIInChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyMAXCWSIJKVASQC-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.80
Rot. Bonds2

About N-methyl-N-phenylnitrous amide

N-methyl-N-phenylnitrous amide (PubChem CID 11957) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-methyl-N-phenylnitrous amide.

Molecular Properties

Compound NameN-methyl-N-phenylnitrous amide
PubChem CID11957
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-methyl-N-phenylnitrous amide
SMILESCN(N=O)c1ccccc1
InChIInChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyMAXCWSIJKVASQC-UHFFFAOYSA-N
XLogP1.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenylnitrous amide?
The IUPAC name of N-methyl-N-phenylnitrous amide (CID 11957) is N-methyl-N-phenylnitrous amide.
What is the SMILES notation for N-methyl-N-phenylnitrous amide?
The canonical SMILES for N-methyl-N-phenylnitrous amide is CN(N=O)c1ccccc1.
What is the InChIKey of N-methyl-N-phenylnitrous amide?
The InChIKey is MAXCWSIJKVASQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of N-methyl-N-phenylnitrous amide?
N-methyl-N-phenylnitrous amide has a molecular weight of 136.15 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenylnitrous amide is sourced from PubChem (CID 11957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).