N-methyl-N-(4-nitrophenyl)nitrous amide

C7H7N3O3 — CID 13671

IUPACN-methyl-N-(4-nitrophenyl)nitrous amide
SMILESCN(N=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3/c1-9(8-11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3
InChIKeyAMTRFSFECFPSHF-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-N-(4-nitrophenyl)nitrous amide

N-methyl-N-(4-nitrophenyl)nitrous amide (PubChem CID 13671) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)nitrous amide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)nitrous amide
PubChem CID13671
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-methyl-N-(4-nitrophenyl)nitrous amide
SMILESCN(N=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7N3O3/c1-9(8-11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3
InChIKeyAMTRFSFECFPSHF-UHFFFAOYSA-N
XLogP1.71
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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-(4-nitrophenyl)nitrous amide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)nitrous amide (CID 13671) is N-methyl-N-(4-nitrophenyl)nitrous amide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)nitrous amide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)nitrous amide is CN(N=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)nitrous amide?
The InChIKey is AMTRFSFECFPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-9(8-11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)nitrous amide?
N-methyl-N-(4-nitrophenyl)nitrous amide has a molecular weight of 181.15 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)nitrous amide is sourced from PubChem (CID 13671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).