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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Related Compounds

N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
CID 75094596
(3R,4R)-N,N,4-trimethylpyrrolidine-3-carboxamide
CID 66936245
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
1-N,1-N,3-N,3-N,5-pentamethylcyclohexane-1,3-dicarboxamide
CID 158969228
(2R)-N,N-dimethylazetidine-2-carboxamide
CID 124537269
N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 23090095
(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 14176422
N,N,6-trimethylpiperidine-3-carboxamide
CID 24697957
(3S,4R,5S)-4-hydroxy-N,N,5-trimethyloxolane-3-carboxamide
CID 130978140
(3-methylaziridin-2-yl)-pyrrolidin-1-ylmethanone
CID 15864838
(2S)-3,4-dihydroxy-N,N-dimethylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67428099
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308

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).