(2R,3S)-3-phenylaziridine-2-carboxamide

C9H10N2O — CID 23727454

IUPAC(2R,3S)-3-phenylaziridine-2-carboxamide
SMILESNC(=O)[C@@H]1N[C@H]1c1ccccc1
InChIInChI=1S/C9H10N2O/c10-9(12)8-7(11-8)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,10,12)/t7-,8+/m0/s1
InChIKeyGPBCRRMRLBDOKI-JGVFFNPUSA-N
MW162.19 g/mol
LogP0.18
Rot. Bonds2

About (2R,3S)-3-phenylaziridine-2-carboxamide

(2R,3S)-3-phenylaziridine-2-carboxamide (PubChem CID 23727454) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R,3S)-3-phenylaziridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-phenylaziridine-2-carboxamide
PubChem CID23727454
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2R,3S)-3-phenylaziridine-2-carboxamide
SMILESNC(=O)[C@@H]1N[C@H]1c1ccccc1
InChIInChI=1S/C9H10N2O/c10-9(12)8-7(11-8)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,10,12)/t7-,8+/m0/s1
InChIKeyGPBCRRMRLBDOKI-JGVFFNPUSA-N
XLogP0.18
TPSA65.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
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 (2R,3S)-3-phenylaziridine-2-carboxamide?
The IUPAC name of (2R,3S)-3-phenylaziridine-2-carboxamide (CID 23727454) is (2R,3S)-3-phenylaziridine-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-phenylaziridine-2-carboxamide?
The canonical SMILES for (2R,3S)-3-phenylaziridine-2-carboxamide is NC(=O)[C@@H]1N[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-phenylaziridine-2-carboxamide?
The InChIKey is GPBCRRMRLBDOKI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)8-7(11-8)6-4-2-1-3-5-6/h1-5,7-8,11H,(H2,10,12)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-3-phenylaziridine-2-carboxamide?
(2R,3S)-3-phenylaziridine-2-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-phenylaziridine-2-carboxamide is sourced from PubChem (CID 23727454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).