1-diphenylphosphorylaziridine

C14H14NOP — CID 5082415

IUPAC1-diphenylphosphorylaziridine
SMILESO=P(c1ccccc1)(c1ccccc1)N1CC1
InChIInChI=1S/C14H14NOP/c16-17(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXBDGFRDNSRXZJZ-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.23
Rot. Bonds3

About 1-diphenylphosphorylaziridine

1-diphenylphosphorylaziridine (PubChem CID 5082415) has the molecular formula C14H14NOP and a molecular weight of 243.25 g/mol. Its IUPAC name is 1-diphenylphosphorylaziridine.

Molecular Properties

Compound Name1-diphenylphosphorylaziridine
PubChem CID5082415
Molecular FormulaC14H14NOP
Molecular Weight243.25 g/mol
Exact Mass243.08
IUPAC Name1-diphenylphosphorylaziridine
SMILESO=P(c1ccccc1)(c1ccccc1)N1CC1
InChIInChI=1S/C14H14NOP/c16-17(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyXBDGFRDNSRXZJZ-UHFFFAOYSA-N
XLogP2.23
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.23
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 1-diphenylphosphorylaziridine?
The IUPAC name of 1-diphenylphosphorylaziridine (CID 5082415) is 1-diphenylphosphorylaziridine.
What is the SMILES notation for 1-diphenylphosphorylaziridine?
The canonical SMILES for 1-diphenylphosphorylaziridine is O=P(c1ccccc1)(c1ccccc1)N1CC1.
What is the InChIKey of 1-diphenylphosphorylaziridine?
The InChIKey is XBDGFRDNSRXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOP/c16-17(15-11-12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 1-diphenylphosphorylaziridine?
1-diphenylphosphorylaziridine has a molecular weight of 243.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylaziridine is sourced from PubChem (CID 5082415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).