N-ethyl-N-(4-nitrosophenyl)nitrous amide

C8H9N3O2 — CID 154091664

IUPACN-ethyl-N-(4-nitrosophenyl)nitrous amide
SMILESCCN(N=O)c1ccc(N=O)cc1
InChIInChI=1S/C8H9N3O2/c1-2-11(10-13)8-5-3-7(9-12)4-6-8/h3-6H,2H2,1H3
InChIKeyBTRFURPJCKBUJP-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-N-(4-nitrosophenyl)nitrous amide

N-ethyl-N-(4-nitrosophenyl)nitrous amide (PubChem CID 154091664) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-ethyl-N-(4-nitrosophenyl)nitrous amide.

Molecular Properties

Compound NameN-ethyl-N-(4-nitrosophenyl)nitrous amide
PubChem CID154091664
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC NameN-ethyl-N-(4-nitrosophenyl)nitrous amide
SMILESCCN(N=O)c1ccc(N=O)cc1
InChIInChI=1S/C8H9N3O2/c1-2-11(10-13)8-5-3-7(9-12)4-6-8/h3-6H,2H2,1H3
InChIKeyBTRFURPJCKBUJP-UHFFFAOYSA-N
XLogP2.59
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-ethyl-N-(4-nitrosophenyl)nitrous amide?
The IUPAC name of N-ethyl-N-(4-nitrosophenyl)nitrous amide (CID 154091664) is N-ethyl-N-(4-nitrosophenyl)nitrous amide.
What is the SMILES notation for N-ethyl-N-(4-nitrosophenyl)nitrous amide?
The canonical SMILES for N-ethyl-N-(4-nitrosophenyl)nitrous amide is CCN(N=O)c1ccc(N=O)cc1.
What is the InChIKey of N-ethyl-N-(4-nitrosophenyl)nitrous amide?
The InChIKey is BTRFURPJCKBUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-11(10-13)8-5-3-7(9-12)4-6-8/h3-6H,2H2,1H3.
What are the key properties of N-ethyl-N-(4-nitrosophenyl)nitrous amide?
N-ethyl-N-(4-nitrosophenyl)nitrous amide has a molecular weight of 179.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-nitrosophenyl)nitrous amide is sourced from PubChem (CID 154091664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).