1-nitroso-1,4-azaphosphinane

C4H9N2OP — CID 86066761

IUPAC1-nitroso-1,4-azaphosphinane
SMILESO=NN1CCPCC1
InChIInChI=1S/C4H9N2OP/c7-5-6-1-3-8-4-2-6/h8H,1-4H2
InChIKeyOUPMYVCTDZCAPI-UHFFFAOYSA-N
MW132.10 g/mol
LogP0.66
Rot. Bonds1

About 1-nitroso-1,4-azaphosphinane

1-nitroso-1,4-azaphosphinane (PubChem CID 86066761) has the molecular formula C4H9N2OP and a molecular weight of 132.10 g/mol. Its IUPAC name is 1-nitroso-1,4-azaphosphinane.

Molecular Properties

Compound Name1-nitroso-1,4-azaphosphinane
PubChem CID86066761
Molecular FormulaC4H9N2OP
Molecular Weight132.10 g/mol
Exact Mass132.05
IUPAC Name1-nitroso-1,4-azaphosphinane
SMILESO=NN1CCPCC1
InChIInChI=1S/C4H9N2OP/c7-5-6-1-3-8-4-2-6/h8H,1-4H2
InChIKeyOUPMYVCTDZCAPI-UHFFFAOYSA-N
XLogP0.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.10
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-nitroso-1,4-azaphosphinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-nitrosoazetidine
CID 27135
1-nitrosoazepane
CID 13613
1-(2-fluoroethyl)-4-nitrosopiperazine
CID 175651507
5-nitroso-1,3,5-triazinane-1,3-diamine
CID 89064293
3-methyl-1,5-dinitroso-1,3,5-triazocane
CID 87945985
3-nitroso-1,3-diazepan-1-amine
CID 126639881
2,2,3,3,4,4,5,5,6,6-decadeuterio-1-nitrosopiperidine
CID 59026730
3,5,7-trinitroso-1,3,5,7-tetrazocan-1-amine
CID 134331489
3-methyl-1-nitrosopiperidine
CID 26131
1-nitrosoazetidine-3-carbonitrile
CID 175679029
12-nitroso-12-azatricyclo[4.4.3.01,6]trideca-3,8-diene
CID 90482420
4-methoxy-1-nitroso-4-phenylpiperidine
CID 119087555

Frequently Asked Questions

What is the IUPAC name of 1-nitroso-1,4-azaphosphinane?
The IUPAC name of 1-nitroso-1,4-azaphosphinane (CID 86066761) is 1-nitroso-1,4-azaphosphinane.
What is the SMILES notation for 1-nitroso-1,4-azaphosphinane?
The canonical SMILES for 1-nitroso-1,4-azaphosphinane is O=NN1CCPCC1.
What is the InChIKey of 1-nitroso-1,4-azaphosphinane?
The InChIKey is OUPMYVCTDZCAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2OP/c7-5-6-1-3-8-4-2-6/h8H,1-4H2.
What are the key properties of 1-nitroso-1,4-azaphosphinane?
1-nitroso-1,4-azaphosphinane has a molecular weight of 132.10 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitroso-1,4-azaphosphinane is sourced from PubChem (CID 86066761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).