1-methylaziridine-2,2-dicarboxamide

C5H9N3O2 — CID 13435272

IUPAC1-methylaziridine-2,2-dicarboxamide
SMILESCN1CC1(C(N)=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c1-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10)
InChIKeyNOEJALHNEIXLOC-UHFFFAOYSA-N
MW143.15 g/mol
LogP-2.36
Rot. Bonds2

About 1-methylaziridine-2,2-dicarboxamide

1-methylaziridine-2,2-dicarboxamide (PubChem CID 13435272) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-methylaziridine-2,2-dicarboxamide.

Molecular Properties

Compound Name1-methylaziridine-2,2-dicarboxamide
PubChem CID13435272
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-methylaziridine-2,2-dicarboxamide
SMILESCN1CC1(C(N)=O)C(N)=O
InChIInChI=1S/C5H9N3O2/c1-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10)
InChIKeyNOEJALHNEIXLOC-UHFFFAOYSA-N
XLogP-2.36
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-cyano-1-methylpyrrolidine-2-carboxamide
CID 121227036
1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
1,2-dimethyl-2-azabicyclo[3.1.0]hexane-5-carboxamide
CID 174984448
3-amino-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468515
1,2-dimethylpiperazine-2-carboxamide
CID 174849300
3-(methylamino)-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 60796247
1,5-dimethyl-3-(methylamino)pyrrolidine-3-carboxamide
CID 81468727
4-methoxy-1-methylpiperidine-4-carboxamide
CID 89303192
3-(2,2,3,3-tetramethylazetidin-1-yl)propanamide
CID 130625607
3-carbamoyl-3-(methylamino)azetidine-1-carboxylic acid
CID 69047419
1-methylpyrrolidine-2,2-dicarboxylic acid
CID 83669888
1-(1,2-dimethylaziridin-2-yl)prop-2-en-1-one
CID 141373460

Frequently Asked Questions

What is the IUPAC name of 1-methylaziridine-2,2-dicarboxamide?
The IUPAC name of 1-methylaziridine-2,2-dicarboxamide (CID 13435272) is 1-methylaziridine-2,2-dicarboxamide.
What is the SMILES notation for 1-methylaziridine-2,2-dicarboxamide?
The canonical SMILES for 1-methylaziridine-2,2-dicarboxamide is CN1CC1(C(N)=O)C(N)=O.
What is the InChIKey of 1-methylaziridine-2,2-dicarboxamide?
The InChIKey is NOEJALHNEIXLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-8-2-5(8,3(6)9)4(7)10/h2H2,1H3,(H2,6,9)(H2,7,10).
What are the key properties of 1-methylaziridine-2,2-dicarboxamide?
1-methylaziridine-2,2-dicarboxamide has a molecular weight of 143.15 g/mol, XLogP of -2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylaziridine-2,2-dicarboxamide is sourced from PubChem (CID 13435272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).