ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C10H14O2 — CID 24986

IUPACethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFCCGTJAGEHZPBF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.76
Rot. Bonds2

About ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 24986) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Nameethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID24986
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Nameethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCCOC(=O)C1CC2C=CC1C2
InChIInChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3
InChIKeyFCCGTJAGEHZPBF-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

826-62-0
CID 13223
Carbic anhydride
CID 2723766
Himic anhydride
CID 637794
5-Norbornene-2-carboxylic acid
CID 78949
Dimethyl carbate
CID 10921747
Dimethyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 38295
2-Methyl bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylate
CID 98465
Ethyl 3-propan-2-ylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 15904484
Methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 250075
Bicyclo(2.2.1)hept-5-ene-2-methanol, 2-acetate
CID 239427
Bicyclo(2.2.1)hept-5-ene-2-carboxylic acid, 3-(1-methylethyl)-, ethyl ester, (2-endo,3-exo)-
CID 121232747
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,1-dimethylethyl ester
CID 15607334

Frequently Asked Questions

What is the IUPAC name of ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 24986) is ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is CCOC(=O)C1CC2C=CC1C2.
What is the InChIKey of ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is FCCGTJAGEHZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-12-10(11)9-6-7-3-4-8(9)5-7/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 166.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 24986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).