2-(2-methylbutyl)oxirane-2-carboxamide

C8H15NO2 — CID 139704822

IUPAC2-(2-methylbutyl)oxirane-2-carboxamide
SMILESCCC(C)CC1(C(N)=O)CO1
InChIInChI=1S/C8H15NO2/c1-3-6(2)4-8(5-11-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyGYSZPGWJBYLYRK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-methylbutyl)oxirane-2-carboxamide

2-(2-methylbutyl)oxirane-2-carboxamide (PubChem CID 139704822) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2-methylbutyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name2-(2-methylbutyl)oxirane-2-carboxamide
PubChem CID139704822
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(2-methylbutyl)oxirane-2-carboxamide
SMILESCCC(C)CC1(C(N)=O)CO1
InChIInChI=1S/C8H15NO2/c1-3-6(2)4-8(5-11-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)
InChIKeyGYSZPGWJBYLYRK-UHFFFAOYSA-N
XLogP0.68
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylbutyl)oxirane-2-carboxamide?
The IUPAC name of 2-(2-methylbutyl)oxirane-2-carboxamide (CID 139704822) is 2-(2-methylbutyl)oxirane-2-carboxamide.
What is the SMILES notation for 2-(2-methylbutyl)oxirane-2-carboxamide?
The canonical SMILES for 2-(2-methylbutyl)oxirane-2-carboxamide is CCC(C)CC1(C(N)=O)CO1.
What is the InChIKey of 2-(2-methylbutyl)oxirane-2-carboxamide?
The InChIKey is GYSZPGWJBYLYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6(2)4-8(5-11-8)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10).
What are the key properties of 2-(2-methylbutyl)oxirane-2-carboxamide?
2-(2-methylbutyl)oxirane-2-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutyl)oxirane-2-carboxamide is sourced from PubChem (CID 139704822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).