N-cyclohex-2-en-1-yl-2-methoxyacetamide

C9H15NO2 — CID 13421091

IUPACN-cyclohex-2-en-1-yl-2-methoxyacetamide
SMILESCOCC(=O)NC1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h3,5,8H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyADRVIWKCSJRZCI-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

About N-cyclohex-2-en-1-yl-2-methoxyacetamide

N-cyclohex-2-en-1-yl-2-methoxyacetamide (PubChem CID 13421091) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-methoxyacetamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-methoxyacetamide
PubChem CID13421091
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-cyclohex-2-en-1-yl-2-methoxyacetamide
SMILESCOCC(=O)NC1C=CCCC1
InChIInChI=1S/C9H15NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h3,5,8H,2,4,6-7H2,1H3,(H,10,11)
InChIKeyADRVIWKCSJRZCI-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 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 ≤ 50.86
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-cyclohex-2-en-1-yl-2-methoxyacetamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2-methoxyacetamide (CID 13421091) is N-cyclohex-2-en-1-yl-2-methoxyacetamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-methoxyacetamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-methoxyacetamide is COCC(=O)NC1C=CCCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-methoxyacetamide?
The InChIKey is ADRVIWKCSJRZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h3,5,8H,2,4,6-7H2,1H3,(H,10,11).
What are the key properties of N-cyclohex-2-en-1-yl-2-methoxyacetamide?
N-cyclohex-2-en-1-yl-2-methoxyacetamide has a molecular weight of 169.22 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-methoxyacetamide is sourced from PubChem (CID 13421091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).