2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide

C11H19NO2 — CID 167046429

IUPAC2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
SMILESCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C11H19NO2/c1-12-11(13)9-14-10-7-5-3-2-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5-
InChIKeyXSNOFQOETVMGHC-ALCCZGGFSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide

2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide (PubChem CID 167046429) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
PubChem CID167046429
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
SMILESCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C11H19NO2/c1-12-11(13)9-14-10-7-5-3-2-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5-
InChIKeyXSNOFQOETVMGHC-ALCCZGGFSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
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-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide?
The IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide (CID 167046429) is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide.
What is the SMILES notation for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide?
The canonical SMILES for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide is CNC(=O)COC1/C=C\CCCCC1.
What is the InChIKey of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide?
The InChIKey is XSNOFQOETVMGHC-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12-11(13)9-14-10-7-5-3-2-4-6-8-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)/b7-5-.
What are the key properties of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide?
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide has a molecular weight of 197.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide is sourced from PubChem (CID 167046429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).