2,2-dimethylaziridine-1-carboxamide

C5H10N2O — CID 89311461

IUPAC2,2-dimethylaziridine-1-carboxamide
SMILESCC1(C)CN1C(N)=O
InChIInChI=1S/C5H10N2O/c1-5(2)3-7(5)4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyGQFKLEOLIKKNLE-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.16
Rot. Bonds

About 2,2-dimethylaziridine-1-carboxamide

2,2-dimethylaziridine-1-carboxamide (PubChem CID 89311461) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2,2-dimethylaziridine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethylaziridine-1-carboxamide
PubChem CID89311461
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2,2-dimethylaziridine-1-carboxamide
SMILESCC1(C)CN1C(N)=O
InChIInChI=1S/C5H10N2O/c1-5(2)3-7(5)4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyGQFKLEOLIKKNLE-UHFFFAOYSA-N
XLogP0.16
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylaziridine-1-carboxamide?
The IUPAC name of 2,2-dimethylaziridine-1-carboxamide (CID 89311461) is 2,2-dimethylaziridine-1-carboxamide.
What is the SMILES notation for 2,2-dimethylaziridine-1-carboxamide?
The canonical SMILES for 2,2-dimethylaziridine-1-carboxamide is CC1(C)CN1C(N)=O.
What is the InChIKey of 2,2-dimethylaziridine-1-carboxamide?
The InChIKey is GQFKLEOLIKKNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(2)3-7(5)4(6)8/h3H2,1-2H3,(H2,6,8).
What are the key properties of 2,2-dimethylaziridine-1-carboxamide?
2,2-dimethylaziridine-1-carboxamide has a molecular weight of 114.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylaziridine-1-carboxamide is sourced from PubChem (CID 89311461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).