N,N,3-trimethylaziridine-2-carboxamide

C6H12N2O — CID 15864839

IUPACN,N,3-trimethylaziridine-2-carboxamide
SMILESCC1NC1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5(7-4)6(9)8(2)3/h4-5,7H,1-3H3
InChIKeyLMYSKTVYGLMPAL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.57
Rot. Bonds1

About N,N,3-trimethylaziridine-2-carboxamide

N,N,3-trimethylaziridine-2-carboxamide (PubChem CID 15864839) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N,N,3-trimethylaziridine-2-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethylaziridine-2-carboxamide
PubChem CID15864839
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN,N,3-trimethylaziridine-2-carboxamide
SMILESCC1NC1C(=O)N(C)C
InChIInChI=1S/C6H12N2O/c1-4-5(7-4)6(9)8(2)3/h4-5,7H,1-3H3
InChIKeyLMYSKTVYGLMPAL-UHFFFAOYSA-N
XLogP-0.57
TPSA42.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.57
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,3-trimethylaziridine-2-carboxamide?
The IUPAC name of N,N,3-trimethylaziridine-2-carboxamide (CID 15864839) is N,N,3-trimethylaziridine-2-carboxamide.
What is the SMILES notation for N,N,3-trimethylaziridine-2-carboxamide?
The canonical SMILES for N,N,3-trimethylaziridine-2-carboxamide is CC1NC1C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethylaziridine-2-carboxamide?
The InChIKey is LMYSKTVYGLMPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(7-4)6(9)8(2)3/h4-5,7H,1-3H3.
What are the key properties of N,N,3-trimethylaziridine-2-carboxamide?
N,N,3-trimethylaziridine-2-carboxamide has a molecular weight of 128.17 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylaziridine-2-carboxamide is sourced from PubChem (CID 15864839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).