N,N-dimethylaziridine-1-carboxamide

C5H10N2O — CID 19470

IUPACN,N-dimethylaziridine-1-carboxamide
SMILESCN(C)C(=O)N1CC1
InChIInChI=1S/C5H10N2O/c1-6(2)5(8)7-3-4-7/h3-4H2,1-2H3
InChIKeyZCOGQSHZVSZAHH-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.02
Rot. Bonds

About N,N-dimethylaziridine-1-carboxamide

N,N-dimethylaziridine-1-carboxamide (PubChem CID 19470) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N,N-dimethylaziridine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylaziridine-1-carboxamide
PubChem CID19470
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN,N-dimethylaziridine-1-carboxamide
SMILESCN(C)C(=O)N1CC1
InChIInChI=1S/C5H10N2O/c1-6(2)5(8)7-3-4-7/h3-4H2,1-2H3
InChIKeyZCOGQSHZVSZAHH-UHFFFAOYSA-N
XLogP-0.02
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-dimethylaziridine-1-carboxamide?
The IUPAC name of N,N-dimethylaziridine-1-carboxamide (CID 19470) is N,N-dimethylaziridine-1-carboxamide.
What is the SMILES notation for N,N-dimethylaziridine-1-carboxamide?
The canonical SMILES for N,N-dimethylaziridine-1-carboxamide is CN(C)C(=O)N1CC1.
What is the InChIKey of N,N-dimethylaziridine-1-carboxamide?
The InChIKey is ZCOGQSHZVSZAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-6(2)5(8)7-3-4-7/h3-4H2,1-2H3.
What are the key properties of N,N-dimethylaziridine-1-carboxamide?
N,N-dimethylaziridine-1-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaziridine-1-carboxamide is sourced from PubChem (CID 19470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).