N-ethyl-N-phenylnitrous amide

C8H10N2O — CID 11929

IUPACN-ethyl-N-phenylnitrous amide
SMILESCCN(N=O)c1ccccc1
InChIInChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWXRXVZXYLBWKRG-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.19
Rot. Bonds3

About N-ethyl-N-phenylnitrous amide

N-ethyl-N-phenylnitrous amide (PubChem CID 11929) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-ethyl-N-phenylnitrous amide.

Molecular Properties

Compound NameN-ethyl-N-phenylnitrous amide
PubChem CID11929
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-ethyl-N-phenylnitrous amide
SMILESCCN(N=O)c1ccccc1
InChIInChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWXRXVZXYLBWKRG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-ethyl-N-phenylnitrous amide?
The IUPAC name of N-ethyl-N-phenylnitrous amide (CID 11929) is N-ethyl-N-phenylnitrous amide.
What is the SMILES notation for N-ethyl-N-phenylnitrous amide?
The canonical SMILES for N-ethyl-N-phenylnitrous amide is CCN(N=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-phenylnitrous amide?
The InChIKey is WXRXVZXYLBWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of N-ethyl-N-phenylnitrous amide?
N-ethyl-N-phenylnitrous amide has a molecular weight of 150.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylnitrous amide is sourced from PubChem (CID 11929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).