2-methyl-1-phosphorosoaziridine

C3H6NOP — CID 54573536

IUPAC2-methyl-1-phosphorosoaziridine
SMILESCC1CN1P=O
InChIInChI=1S/C3H6NOP/c1-3-2-4(3)6-5/h3H,2H2,1H3
InChIKeyZYZPSHYZJAYSBB-UHFFFAOYSA-N
MW103.06 g/mol
LogP0.90
Rot. Bonds1

About 2-methyl-1-phosphorosoaziridine

2-methyl-1-phosphorosoaziridine (PubChem CID 54573536) has the molecular formula C3H6NOP and a molecular weight of 103.06 g/mol. Its IUPAC name is 2-methyl-1-phosphorosoaziridine.

Molecular Properties

Compound Name2-methyl-1-phosphorosoaziridine
PubChem CID54573536
Molecular FormulaC3H6NOP
Molecular Weight103.06 g/mol
Exact Mass103.02
IUPAC Name2-methyl-1-phosphorosoaziridine
SMILESCC1CN1P=O
InChIInChI=1S/C3H6NOP/c1-3-2-4(3)6-5/h3H,2H2,1H3
InChIKeyZYZPSHYZJAYSBB-UHFFFAOYSA-N
XLogP0.90
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.06
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phosphorosoaziridine?
The IUPAC name of 2-methyl-1-phosphorosoaziridine (CID 54573536) is 2-methyl-1-phosphorosoaziridine.
What is the SMILES notation for 2-methyl-1-phosphorosoaziridine?
The canonical SMILES for 2-methyl-1-phosphorosoaziridine is CC1CN1P=O.
What is the InChIKey of 2-methyl-1-phosphorosoaziridine?
The InChIKey is ZYZPSHYZJAYSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NOP/c1-3-2-4(3)6-5/h3H,2H2,1H3.
What are the key properties of 2-methyl-1-phosphorosoaziridine?
2-methyl-1-phosphorosoaziridine has a molecular weight of 103.06 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phosphorosoaziridine is sourced from PubChem (CID 54573536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).