N-phenylaziridine-1-carboxamide

C9H10N2O — CID 25827

IUPACN-phenylaziridine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC1
InChIInChI=1S/C9H10N2O/c12-9(11-6-7-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyZYPIAZBAHRUTGU-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.53
Rot. Bonds1

About N-phenylaziridine-1-carboxamide

N-phenylaziridine-1-carboxamide (PubChem CID 25827) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-phenylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-phenylaziridine-1-carboxamide
PubChem CID25827
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-phenylaziridine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC1
InChIInChI=1S/C9H10N2O/c12-9(11-6-7-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12)
InChIKeyZYPIAZBAHRUTGU-UHFFFAOYSA-N
XLogP1.53
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Carbanilide
CID 7595
Fenuron
CID 7560
Phenylurea
CID 6145
4-Fluorophenylurea
CID 12612
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
N-Methyl-N',N'-diphenylurea
CID 25711
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1,3-Dimethyl-1,3-diphenylurea
CID 11917
N-Cyclopentyl-N'-phenylurea
CID 25740
1-Hydroxy-3-phenylurea
CID 81786

Frequently Asked Questions

What is the IUPAC name of N-phenylaziridine-1-carboxamide?
The IUPAC name of N-phenylaziridine-1-carboxamide (CID 25827) is N-phenylaziridine-1-carboxamide.
What is the SMILES notation for N-phenylaziridine-1-carboxamide?
The canonical SMILES for N-phenylaziridine-1-carboxamide is O=C(Nc1ccccc1)N1CC1.
What is the InChIKey of N-phenylaziridine-1-carboxamide?
The InChIKey is ZYPIAZBAHRUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9(11-6-7-11)10-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,12).
What are the key properties of N-phenylaziridine-1-carboxamide?
N-phenylaziridine-1-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylaziridine-1-carboxamide is sourced from PubChem (CID 25827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).