3-amino-3-benzyl-1-phenylaziridin-2-one

C15H14N2O — CID 22094809

IUPAC3-amino-3-benzyl-1-phenylaziridin-2-one
SMILESNC1(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(11-12-7-3-1-4-8-12)14(18)17(15)13-9-5-2-6-10-13/h1-10H,11,16H2
InChIKeyDQKQWNLLLIDXKQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-3-benzyl-1-phenylaziridin-2-one

3-amino-3-benzyl-1-phenylaziridin-2-one (PubChem CID 22094809) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-amino-3-benzyl-1-phenylaziridin-2-one.

Molecular Properties

Compound Name3-amino-3-benzyl-1-phenylaziridin-2-one
PubChem CID22094809
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-amino-3-benzyl-1-phenylaziridin-2-one
SMILESNC1(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C15H14N2O/c16-15(11-12-7-3-1-4-8-12)14(18)17(15)13-9-5-2-6-10-13/h1-10H,11,16H2
InChIKeyDQKQWNLLLIDXKQ-UHFFFAOYSA-N
XLogP1.93
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
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 3-amino-3-benzyl-1-phenylaziridin-2-one?
The IUPAC name of 3-amino-3-benzyl-1-phenylaziridin-2-one (CID 22094809) is 3-amino-3-benzyl-1-phenylaziridin-2-one.
What is the SMILES notation for 3-amino-3-benzyl-1-phenylaziridin-2-one?
The canonical SMILES for 3-amino-3-benzyl-1-phenylaziridin-2-one is NC1(Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-amino-3-benzyl-1-phenylaziridin-2-one?
The InChIKey is DQKQWNLLLIDXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-15(11-12-7-3-1-4-8-12)14(18)17(15)13-9-5-2-6-10-13/h1-10H,11,16H2.
What are the key properties of 3-amino-3-benzyl-1-phenylaziridin-2-one?
3-amino-3-benzyl-1-phenylaziridin-2-one has a molecular weight of 238.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-benzyl-1-phenylaziridin-2-one is sourced from PubChem (CID 22094809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).