N,N-dimethylaziridine-2-carboxamide

C5H10N2O — CID 15864840

IUPACN,N-dimethylaziridine-2-carboxamide
SMILESCN(C)C(=O)C1CN1
InChIInChI=1S/C5H10N2O/c1-7(2)5(8)4-3-6-4/h4,6H,3H2,1-2H3
InChIKeyLIMYSEHFIGWVSO-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.95
Rot. Bonds1

About N,N-dimethylaziridine-2-carboxamide

N,N-dimethylaziridine-2-carboxamide (PubChem CID 15864840) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N,N-dimethylaziridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylaziridine-2-carboxamide
PubChem CID15864840
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN,N-dimethylaziridine-2-carboxamide
SMILESCN(C)C(=O)C1CN1
InChIInChI=1S/C5H10N2O/c1-7(2)5(8)4-3-6-4/h4,6H,3H2,1-2H3
InChIKeyLIMYSEHFIGWVSO-UHFFFAOYSA-N
XLogP-0.95
TPSA42.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.95
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 N,N-dimethylaziridine-2-carboxamide?
The IUPAC name of N,N-dimethylaziridine-2-carboxamide (CID 15864840) is N,N-dimethylaziridine-2-carboxamide.
What is the SMILES notation for N,N-dimethylaziridine-2-carboxamide?
The canonical SMILES for N,N-dimethylaziridine-2-carboxamide is CN(C)C(=O)C1CN1.
What is the InChIKey of N,N-dimethylaziridine-2-carboxamide?
The InChIKey is LIMYSEHFIGWVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7(2)5(8)4-3-6-4/h4,6H,3H2,1-2H3.
What are the key properties of N,N-dimethylaziridine-2-carboxamide?
N,N-dimethylaziridine-2-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaziridine-2-carboxamide is sourced from PubChem (CID 15864840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).