2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide

C13H23NO2 — CID 156628315

IUPAC2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)CO[C@H]1CC/C=C\CCC1
InChIInChI=1S/C13H23NO2/c1-2-10-14-13(15)11-16-12-8-6-4-3-5-7-9-12/h3-4,12H,2,5-11H2,1H3,(H,14,15)/b4-3-/t12-/m0/s1
InChIKeyBQIGAFUHRIOIOA-MVZIDQBPSA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds5

About 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide

2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide (PubChem CID 156628315) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide
PubChem CID156628315
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)CO[C@H]1CC/C=C\CCC1
InChIInChI=1S/C13H23NO2/c1-2-10-14-13(15)11-16-12-8-6-4-3-5-7-9-12/h3-4,12H,2,5-11H2,1H3,(H,14,15)/b4-3-/t12-/m0/s1
InChIKeyBQIGAFUHRIOIOA-MVZIDQBPSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
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 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide (CID 156628315) is 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide is CCCNC(=O)CO[C@H]1CC/C=C\CCC1.
What is the InChIKey of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?
The InChIKey is BQIGAFUHRIOIOA-MVZIDQBPSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-10-14-13(15)11-16-12-8-6-4-3-5-7-9-12/h3-4,12H,2,5-11H2,1H3,(H,14,15)/b4-3-/t12-/m0/s1.
What are the key properties of 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide?
2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4E)-cyclooct-4-en-1-yl]oxy-N-propylacetamide is sourced from PubChem (CID 156628315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).