2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide

C11H17NO — CID 118016193

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-2-12-11(13)7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3,(H,12,13)
InChIKeyHUSYRKSANCVOLQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide (PubChem CID 118016193) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide
PubChem CID118016193
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC2C=CC1C2
InChIInChI=1S/C11H17NO/c1-2-12-11(13)7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3,(H,12,13)
InChIKeyHUSYRKSANCVOLQ-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.72
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-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide (CID 118016193) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide is CCNC(=O)CC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide?
The InChIKey is HUSYRKSANCVOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-12-11(13)7-10-6-8-3-4-9(10)5-8/h3-4,8-10H,2,5-7H2,1H3,(H,12,13).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide has a molecular weight of 179.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-ethylacetamide is sourced from PubChem (CID 118016193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).