N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide

C10H15NO2 — CID 163356313

IUPACN-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1COC1)C1CC=CCC1
InChIInChI=1S/C10H15NO2/c12-10(11-9-6-13-7-9)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,11,12)
InChIKeyBSEYGWQVFZVLGM-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds2

About N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide

N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 163356313) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID163356313
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1COC1)C1CC=CCC1
InChIInChI=1S/C10H15NO2/c12-10(11-9-6-13-7-9)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,11,12)
InChIKeyBSEYGWQVFZVLGM-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide (CID 163356313) is N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide is O=C(NC1COC1)C1CC=CCC1.
What is the InChIKey of N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is BSEYGWQVFZVLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(11-9-6-13-7-9)8-4-2-1-3-5-8/h1-2,8-9H,3-7H2,(H,11,12).
What are the key properties of N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide?
N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 163356313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).