2-methyl-N-propylaziridine-1-carboxamide

C7H14N2O — CID 45084177

IUPAC2-methyl-N-propylaziridine-1-carboxamide
SMILESCCCNC(=O)N1CC1C
InChIInChI=1S/C7H14N2O/c1-3-4-8-7(10)9-5-6(9)2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyZQJRJMLGJPRFLO-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds2

About 2-methyl-N-propylaziridine-1-carboxamide

2-methyl-N-propylaziridine-1-carboxamide (PubChem CID 45084177) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methyl-N-propylaziridine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propylaziridine-1-carboxamide
PubChem CID45084177
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-methyl-N-propylaziridine-1-carboxamide
SMILESCCCNC(=O)N1CC1C
InChIInChI=1S/C7H14N2O/c1-3-4-8-7(10)9-5-6(9)2/h6H,3-5H2,1-2H3,(H,8,10)
InChIKeyZQJRJMLGJPRFLO-UHFFFAOYSA-N
XLogP0.81
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
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 2-methyl-N-propylaziridine-1-carboxamide?
The IUPAC name of 2-methyl-N-propylaziridine-1-carboxamide (CID 45084177) is 2-methyl-N-propylaziridine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-propylaziridine-1-carboxamide?
The canonical SMILES for 2-methyl-N-propylaziridine-1-carboxamide is CCCNC(=O)N1CC1C.
What is the InChIKey of 2-methyl-N-propylaziridine-1-carboxamide?
The InChIKey is ZQJRJMLGJPRFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-8-7(10)9-5-6(9)2/h6H,3-5H2,1-2H3,(H,8,10).
What are the key properties of 2-methyl-N-propylaziridine-1-carboxamide?
2-methyl-N-propylaziridine-1-carboxamide has a molecular weight of 142.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylaziridine-1-carboxamide is sourced from PubChem (CID 45084177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).