N,N,2-trimethylaziridine-1-carboxamide

C6H12N2O — CID 11007919

IUPACN,N,2-trimethylaziridine-1-carboxamide
SMILESCC1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3
InChIKeyVGGNVBNNVSIGKG-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds

About N,N,2-trimethylaziridine-1-carboxamide

N,N,2-trimethylaziridine-1-carboxamide (PubChem CID 11007919) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N,2-trimethylaziridine-1-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethylaziridine-1-carboxamide
PubChem CID11007919
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N,2-trimethylaziridine-1-carboxamide
SMILESCC1CN1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3
InChIKeyVGGNVBNNVSIGKG-UHFFFAOYSA-N
XLogP0.37
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
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,2-trimethylaziridine-1-carboxamide?
The IUPAC name of N,N,2-trimethylaziridine-1-carboxamide (CID 11007919) is N,N,2-trimethylaziridine-1-carboxamide.
What is the SMILES notation for N,N,2-trimethylaziridine-1-carboxamide?
The canonical SMILES for N,N,2-trimethylaziridine-1-carboxamide is CC1CN1C(=O)N(C)C.
What is the InChIKey of N,N,2-trimethylaziridine-1-carboxamide?
The InChIKey is VGGNVBNNVSIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-4-8(5)6(9)7(2)3/h5H,4H2,1-3H3.
What are the key properties of N,N,2-trimethylaziridine-1-carboxamide?
N,N,2-trimethylaziridine-1-carboxamide has a molecular weight of 128.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylaziridine-1-carboxamide is sourced from PubChem (CID 11007919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).