N-ethyl-N,2-dimethylaziridine-1-carboxamide

C7H14N2O — CID 22118000

IUPACN-ethyl-N,2-dimethylaziridine-1-carboxamide
SMILESCCN(C)C(=O)N1CC1C
InChIInChI=1S/C7H14N2O/c1-4-8(3)7(10)9-5-6(9)2/h6H,4-5H2,1-3H3
InChIKeyXHVHYBKPFIVSFM-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.76
Rot. Bonds1

About N-ethyl-N,2-dimethylaziridine-1-carboxamide

N-ethyl-N,2-dimethylaziridine-1-carboxamide (PubChem CID 22118000) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-ethyl-N,2-dimethylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-dimethylaziridine-1-carboxamide
PubChem CID22118000
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-ethyl-N,2-dimethylaziridine-1-carboxamide
SMILESCCN(C)C(=O)N1CC1C
InChIInChI=1S/C7H14N2O/c1-4-8(3)7(10)9-5-6(9)2/h6H,4-5H2,1-3H3
InChIKeyXHVHYBKPFIVSFM-UHFFFAOYSA-N
XLogP0.76
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.76
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-ethyl-N,2-dimethylaziridine-1-carboxamide?
The IUPAC name of N-ethyl-N,2-dimethylaziridine-1-carboxamide (CID 22118000) is N-ethyl-N,2-dimethylaziridine-1-carboxamide.
What is the SMILES notation for N-ethyl-N,2-dimethylaziridine-1-carboxamide?
The canonical SMILES for N-ethyl-N,2-dimethylaziridine-1-carboxamide is CCN(C)C(=O)N1CC1C.
What is the InChIKey of N-ethyl-N,2-dimethylaziridine-1-carboxamide?
The InChIKey is XHVHYBKPFIVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-8(3)7(10)9-5-6(9)2/h6H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N,2-dimethylaziridine-1-carboxamide?
N-ethyl-N,2-dimethylaziridine-1-carboxamide has a molecular weight of 142.20 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethylaziridine-1-carboxamide is sourced from PubChem (CID 22118000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).