4-nitroso-N-phenylaniline

C12H10N2O — CID 9074

IUPAC4-nitroso-N-phenylaniline
SMILESO=Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKeyOIJHFHYPXWSVPF-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.83
Rot. Bonds3

About 4-nitroso-N-phenylaniline

4-nitroso-N-phenylaniline (PubChem CID 9074) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-nitroso-N-phenylaniline.

Molecular Properties

Compound Name4-nitroso-N-phenylaniline
PubChem CID9074
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-nitroso-N-phenylaniline
SMILESO=Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKeyOIJHFHYPXWSVPF-UHFFFAOYSA-N
XLogP3.83
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-N-phenylaniline?
The IUPAC name of 4-nitroso-N-phenylaniline (CID 9074) is 4-nitroso-N-phenylaniline.
What is the SMILES notation for 4-nitroso-N-phenylaniline?
The canonical SMILES for 4-nitroso-N-phenylaniline is O=Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-nitroso-N-phenylaniline?
The InChIKey is OIJHFHYPXWSVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H.
What are the key properties of 4-nitroso-N-phenylaniline?
4-nitroso-N-phenylaniline has a molecular weight of 198.22 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-N-phenylaniline is sourced from PubChem (CID 9074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).