2-cyclohex-2-en-1-ylacetamide

C8H13NO — CID 14143177

IUPAC2-cyclohex-2-en-1-ylacetamide
SMILESNC(=O)CC1C=CCCC1
InChIInChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H2,9,10)
InChIKeyCECWDFMXNZYJFK-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.22
Rot. Bonds2

About 2-cyclohex-2-en-1-ylacetamide

2-cyclohex-2-en-1-ylacetamide (PubChem CID 14143177) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylacetamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylacetamide
PubChem CID14143177
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-cyclohex-2-en-1-ylacetamide
SMILESNC(=O)CC1C=CCCC1
InChIInChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H2,9,10)
InChIKeyCECWDFMXNZYJFK-UHFFFAOYSA-N
XLogP1.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohex-2-en-1-ylacetamide?
The IUPAC name of 2-cyclohex-2-en-1-ylacetamide (CID 14143177) is 2-cyclohex-2-en-1-ylacetamide.
What is the SMILES notation for 2-cyclohex-2-en-1-ylacetamide?
The canonical SMILES for 2-cyclohex-2-en-1-ylacetamide is NC(=O)CC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylacetamide?
The InChIKey is CECWDFMXNZYJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H2,9,10).
What are the key properties of 2-cyclohex-2-en-1-ylacetamide?
2-cyclohex-2-en-1-ylacetamide has a molecular weight of 139.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylacetamide is sourced from PubChem (CID 14143177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).