3-cyclopropyl-N-methylaziridine-2-carboxamide

C7H12N2O — CID 170982801

IUPAC3-cyclopropyl-N-methylaziridine-2-carboxamide
SMILESCNC(=O)C1NC1C1CC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)6-5(9-6)4-2-3-4/h4-6,9H,2-3H2,1H3,(H,8,10)
InChIKeyGDDXBNSQEALNQJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds2

About 3-cyclopropyl-N-methylaziridine-2-carboxamide

3-cyclopropyl-N-methylaziridine-2-carboxamide (PubChem CID 170982801) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-cyclopropyl-N-methylaziridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methylaziridine-2-carboxamide
PubChem CID170982801
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-cyclopropyl-N-methylaziridine-2-carboxamide
SMILESCNC(=O)C1NC1C1CC1
InChIInChI=1S/C7H12N2O/c1-8-7(10)6-5(9-6)4-2-3-4/h4-6,9H,2-3H2,1H3,(H,8,10)
InChIKeyGDDXBNSQEALNQJ-UHFFFAOYSA-N
XLogP-0.52
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N-cyclopentyl-3-cyclopropylaziridine-2-carboxamide
CID 170054921
1-[(2R,3R)-3-cyclopropylaziridine-2-carbonyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 170982794
[(2R,3R)-3-cyclopropylaziridin-2-yl]-[8-(methylamino)-3-oxa-6,8-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 170055207
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-N,6-dimethylpiperidine-2-carboxamide
CID 10488407
(1R,3S,4S)-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 139438576
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
[(2R,3S)-3-cyclopropylaziridin-2-yl]-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 176610704
6-(difluoromethyl)-3,4,5-trihydroxy-N-methylpiperidine-2-carboxamide
CID 123609824
[(2R,3S)-3-cyclopropylaziridin-2-yl]-(5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridin-1-yl)methanone
CID 170055523
cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
CID 131089330
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methylaziridine-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methylaziridine-2-carboxamide (CID 170982801) is 3-cyclopropyl-N-methylaziridine-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methylaziridine-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methylaziridine-2-carboxamide is CNC(=O)C1NC1C1CC1.
What is the InChIKey of 3-cyclopropyl-N-methylaziridine-2-carboxamide?
The InChIKey is GDDXBNSQEALNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-8-7(10)6-5(9-6)4-2-3-4/h4-6,9H,2-3H2,1H3,(H,8,10).
What are the key properties of 3-cyclopropyl-N-methylaziridine-2-carboxamide?
3-cyclopropyl-N-methylaziridine-2-carboxamide has a molecular weight of 140.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methylaziridine-2-carboxamide is sourced from PubChem (CID 170982801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).