2-[amino(methyl)phosphoryl]-1H-azirine

C3H7N2OP — CID 138529109

IUPAC2-[amino(methyl)phosphoryl]-1H-azirine
SMILESC[P@@](N)(=O)C1=CN1
InChIInChI=1S/C3H7N2OP/c1-7(4,6)3-2-5-3/h2,5H,1H3,(H2,4,6)/t7-/m1/s1
InChIKeyMSFVOYXGZKWNBZ-SSDOTTSWSA-N
MW118.08 g/mol
LogP0.26
Rot. Bonds1

About 2-[amino(methyl)phosphoryl]-1H-azirine

2-[amino(methyl)phosphoryl]-1H-azirine (PubChem CID 138529109) has the molecular formula C3H7N2OP and a molecular weight of 118.08 g/mol. Its IUPAC name is 2-[amino(methyl)phosphoryl]-1H-azirine.

Molecular Properties

Compound Name2-[amino(methyl)phosphoryl]-1H-azirine
PubChem CID138529109
Molecular FormulaC3H7N2OP
Molecular Weight118.08 g/mol
Exact Mass118.03
IUPAC Name2-[amino(methyl)phosphoryl]-1H-azirine
SMILESC[P@@](N)(=O)C1=CN1
InChIInChI=1S/C3H7N2OP/c1-7(4,6)3-2-5-3/h2,5H,1H3,(H2,4,6)/t7-/m1/s1
InChIKeyMSFVOYXGZKWNBZ-SSDOTTSWSA-N
XLogP0.26
TPSA65.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.08
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(methyl)phosphoryl]-1H-azirine?
The IUPAC name of 2-[amino(methyl)phosphoryl]-1H-azirine (CID 138529109) is 2-[amino(methyl)phosphoryl]-1H-azirine.
What is the SMILES notation for 2-[amino(methyl)phosphoryl]-1H-azirine?
The canonical SMILES for 2-[amino(methyl)phosphoryl]-1H-azirine is C[P@@](N)(=O)C1=CN1.
What is the InChIKey of 2-[amino(methyl)phosphoryl]-1H-azirine?
The InChIKey is MSFVOYXGZKWNBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C3H7N2OP/c1-7(4,6)3-2-5-3/h2,5H,1H3,(H2,4,6)/t7-/m1/s1.
What are the key properties of 2-[amino(methyl)phosphoryl]-1H-azirine?
2-[amino(methyl)phosphoryl]-1H-azirine has a molecular weight of 118.08 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(methyl)phosphoryl]-1H-azirine is sourced from PubChem (CID 138529109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).