2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide

C9H15NO2 — CID 134349188

IUPAC2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1(CC1CCC1)C(N)=O
InChIInChI=1S/C9H15NO2/c1-6-9(12-6,8(10)11)5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyWRXQZZQFJRSWKR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.82
Rot. Bonds3

About 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide

2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide (PubChem CID 134349188) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
PubChem CID134349188
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide
SMILESCC1OC1(CC1CCC1)C(N)=O
InChIInChI=1S/C9H15NO2/c1-6-9(12-6,8(10)11)5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,10,11)
InChIKeyWRXQZZQFJRSWKR-UHFFFAOYSA-N
XLogP0.82
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.82
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-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The IUPAC name of 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide (CID 134349188) is 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide.
What is the SMILES notation for 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The canonical SMILES for 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide is CC1OC1(CC1CCC1)C(N)=O.
What is the InChIKey of 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
The InChIKey is WRXQZZQFJRSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-9(12-6,8(10)11)5-7-3-2-4-7/h6-7H,2-5H2,1H3,(H2,10,11).
What are the key properties of 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide?
2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide has a molecular weight of 169.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-3-methyloxirane-2-carboxamide is sourced from PubChem (CID 134349188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).