1-phenylaziridine-2-carboxamide

C9H10N2O — CID 45084640

IUPAC1-phenylaziridine-2-carboxamide
SMILESNC(=O)C1CN1c1ccccc1
InChIInChI=1S/C9H10N2O/c10-9(12)8-6-11(8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,12)
InChIKeyRHQMQKYNPTXTQO-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.36
Rot. Bonds2

About 1-phenylaziridine-2-carboxamide

1-phenylaziridine-2-carboxamide (PubChem CID 45084640) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-phenylaziridine-2-carboxamide.

Molecular Properties

Compound Name1-phenylaziridine-2-carboxamide
PubChem CID45084640
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-phenylaziridine-2-carboxamide
SMILESNC(=O)C1CN1c1ccccc1
InChIInChI=1S/C9H10N2O/c10-9(12)8-6-11(8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,12)
InChIKeyRHQMQKYNPTXTQO-UHFFFAOYSA-N
XLogP0.36
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.36
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 1-phenylaziridine-2-carboxamide?
The IUPAC name of 1-phenylaziridine-2-carboxamide (CID 45084640) is 1-phenylaziridine-2-carboxamide.
What is the SMILES notation for 1-phenylaziridine-2-carboxamide?
The canonical SMILES for 1-phenylaziridine-2-carboxamide is NC(=O)C1CN1c1ccccc1.
What is the InChIKey of 1-phenylaziridine-2-carboxamide?
The InChIKey is RHQMQKYNPTXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)8-6-11(8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,12).
What are the key properties of 1-phenylaziridine-2-carboxamide?
1-phenylaziridine-2-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylaziridine-2-carboxamide is sourced from PubChem (CID 45084640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).