N-oxido-N-phosphanylaniline

C6H7NOP- — CID 163802295

IUPACN-oxido-N-phosphanylaniline
SMILES[O-]N(P)c1ccccc1
InChIInChI=1S/C6H7NOP/c8-7(9)6-4-2-1-3-5-6/h1-5H,9H2/q-1
InChIKeyMTNWIDPYVPMRSI-UHFFFAOYSA-N
MW140.10 g/mol
LogP1.78
Rot. Bonds1

About N-oxido-N-phosphanylaniline

N-oxido-N-phosphanylaniline (PubChem CID 163802295) has the molecular formula C6H7NOP- and a molecular weight of 140.10 g/mol. Its IUPAC name is N-oxido-N-phosphanylaniline.

Molecular Properties

Compound NameN-oxido-N-phosphanylaniline
PubChem CID163802295
Molecular FormulaC6H7NOP-
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC NameN-oxido-N-phosphanylaniline
SMILES[O-]N(P)c1ccccc1
InChIInChI=1S/C6H7NOP/c8-7(9)6-4-2-1-3-5-6/h1-5H,9H2/q-1
InChIKeyMTNWIDPYVPMRSI-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenylaniline;silane
CID 131739129
manganese(2+);bis(N-oxido-N-phenylnitrous amide)
CID 131874368
azane;N,N-diphenylaniline;methane
CID 174725062
N,N-dimethylaniline
CID 70392672
acetylene;N,N-diphenylaniline
CID 162160270
N,N-diphenylaniline;ethene
CID 135186601
tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
CID 20978317
N-(2-methoxypropan-2-yl)-N-oxidoaniline
CID 163944848
CID 88738061
CID 88738061
CID 69241188
CID 69241188
CID 13027417
CID 13027417
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of N-oxido-N-phosphanylaniline?
The IUPAC name of N-oxido-N-phosphanylaniline (CID 163802295) is N-oxido-N-phosphanylaniline.
What is the SMILES notation for N-oxido-N-phosphanylaniline?
The canonical SMILES for N-oxido-N-phosphanylaniline is [O-]N(P)c1ccccc1.
What is the InChIKey of N-oxido-N-phosphanylaniline?
The InChIKey is MTNWIDPYVPMRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOP/c8-7(9)6-4-2-1-3-5-6/h1-5H,9H2/q-1.
What are the key properties of N-oxido-N-phosphanylaniline?
N-oxido-N-phosphanylaniline has a molecular weight of 140.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-N-phosphanylaniline is sourced from PubChem (CID 163802295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).