1-propan-2-yloxyaziridine-2-carboxamide

C6H12N2O2 — CID 537867

IUPAC1-propan-2-yloxyaziridine-2-carboxamide
SMILESCC(C)ON1CC1C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)10-8-3-5(8)6(7)9/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyITNDGLYKTQAGFT-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.50
Rot. Bonds3

About 1-propan-2-yloxyaziridine-2-carboxamide

1-propan-2-yloxyaziridine-2-carboxamide (PubChem CID 537867) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-propan-2-yloxyaziridine-2-carboxamide.

Molecular Properties

Compound Name1-propan-2-yloxyaziridine-2-carboxamide
PubChem CID537867
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-propan-2-yloxyaziridine-2-carboxamide
SMILESCC(C)ON1CC1C(N)=O
InChIInChI=1S/C6H12N2O2/c1-4(2)10-8-3-5(8)6(7)9/h4-5H,3H2,1-2H3,(H2,7,9)
InChIKeyITNDGLYKTQAGFT-UHFFFAOYSA-N
XLogP-0.50
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-propan-2-yloxyaziridine-2-carboxamide?
The IUPAC name of 1-propan-2-yloxyaziridine-2-carboxamide (CID 537867) is 1-propan-2-yloxyaziridine-2-carboxamide.
What is the SMILES notation for 1-propan-2-yloxyaziridine-2-carboxamide?
The canonical SMILES for 1-propan-2-yloxyaziridine-2-carboxamide is CC(C)ON1CC1C(N)=O.
What is the InChIKey of 1-propan-2-yloxyaziridine-2-carboxamide?
The InChIKey is ITNDGLYKTQAGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)10-8-3-5(8)6(7)9/h4-5H,3H2,1-2H3,(H2,7,9).
What are the key properties of 1-propan-2-yloxyaziridine-2-carboxamide?
1-propan-2-yloxyaziridine-2-carboxamide has a molecular weight of 144.17 g/mol, XLogP of -0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxyaziridine-2-carboxamide is sourced from PubChem (CID 537867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).