N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide

C11H19NO2 — CID 60655754

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H19NO2/c1-14-9-11(13)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,12,13)
InChIKeyYSPVBRTVYVFEJA-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide (PubChem CID 60655754) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide
PubChem CID60655754
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C11H19NO2/c1-14-9-11(13)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,12,13)
InChIKeyYSPVBRTVYVFEJA-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide (CID 60655754) is N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide is COCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide?
The InChIKey is YSPVBRTVYVFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-9-11(13)12-8-7-10-5-3-2-4-6-10/h5H,2-4,6-9H2,1H3,(H,12,13).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide has a molecular weight of 197.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-methoxyacetamide is sourced from PubChem (CID 60655754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).