methyl 2,3-diphenylaziridine-1-carboxylate

C16H15NO2 — CID 2832767

IUPACmethyl 2,3-diphenylaziridine-1-carboxylate
SMILESCOC(=O)N1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)17-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyRCDUNEOSRBMNMC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.55
Rot. Bonds2

About methyl 2,3-diphenylaziridine-1-carboxylate

methyl 2,3-diphenylaziridine-1-carboxylate (PubChem CID 2832767) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2,3-diphenylaziridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-diphenylaziridine-1-carboxylate
PubChem CID2832767
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2,3-diphenylaziridine-1-carboxylate
SMILESCOC(=O)N1C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-16(18)17-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3
InChIKeyRCDUNEOSRBMNMC-UHFFFAOYSA-N
XLogP3.55
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-diphenylaziridine-1-carboxylate?
The IUPAC name of methyl 2,3-diphenylaziridine-1-carboxylate (CID 2832767) is methyl 2,3-diphenylaziridine-1-carboxylate.
What is the SMILES notation for methyl 2,3-diphenylaziridine-1-carboxylate?
The canonical SMILES for methyl 2,3-diphenylaziridine-1-carboxylate is COC(=O)N1C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of methyl 2,3-diphenylaziridine-1-carboxylate?
The InChIKey is RCDUNEOSRBMNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-16(18)17-14(12-8-4-2-5-9-12)15(17)13-10-6-3-7-11-13/h2-11,14-15H,1H3.
What are the key properties of methyl 2,3-diphenylaziridine-1-carboxylate?
methyl 2,3-diphenylaziridine-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-diphenylaziridine-1-carboxylate is sourced from PubChem (CID 2832767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).