N-tert-butylaziridine-1-carboxamide

C7H14N2O — CID 45084187

IUPACN-tert-butylaziridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC1
InChIInChI=1S/C7H14N2O/c1-7(2,3)8-6(10)9-4-5-9/h4-5H2,1-3H3,(H,8,10)
InChIKeyOZHPENBMSIDDAY-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.81
Rot. Bonds

About N-tert-butylaziridine-1-carboxamide

N-tert-butylaziridine-1-carboxamide (PubChem CID 45084187) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-tert-butylaziridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butylaziridine-1-carboxamide
PubChem CID45084187
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-tert-butylaziridine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CC1
InChIInChI=1S/C7H14N2O/c1-7(2,3)8-6(10)9-4-5-9/h4-5H2,1-3H3,(H,8,10)
InChIKeyOZHPENBMSIDDAY-UHFFFAOYSA-N
XLogP0.81
TPSA32.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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 N-tert-butylaziridine-1-carboxamide?
The IUPAC name of N-tert-butylaziridine-1-carboxamide (CID 45084187) is N-tert-butylaziridine-1-carboxamide.
What is the SMILES notation for N-tert-butylaziridine-1-carboxamide?
The canonical SMILES for N-tert-butylaziridine-1-carboxamide is CC(C)(C)NC(=O)N1CC1.
What is the InChIKey of N-tert-butylaziridine-1-carboxamide?
The InChIKey is OZHPENBMSIDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3)8-6(10)9-4-5-9/h4-5H2,1-3H3,(H,8,10).
What are the key properties of N-tert-butylaziridine-1-carboxamide?
N-tert-butylaziridine-1-carboxamide has a molecular weight of 142.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylaziridine-1-carboxamide is sourced from PubChem (CID 45084187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).