1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid

C10H14O2 — CID 70545020

IUPAC1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC=CC12CCC(CC1C(=O)O)C2
InChIInChI=1S/C10H14O2/c1-2-10-4-3-7(6-10)5-8(10)9(11)12/h2,7-8H,1,3-6H2,(H,11,12)
InChIKeyQSASIVIQSBNLAX-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.06
Rot. Bonds2

About 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid

1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 70545020) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID70545020
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC=CC12CCC(CC1C(=O)O)C2
InChIInChI=1S/C10H14O2/c1-2-10-4-3-7(6-10)5-8(10)9(11)12/h2,7-8H,1,3-6H2,(H,11,12)
InChIKeyQSASIVIQSBNLAX-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethenyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanone
CID 45081171
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98523902
1-bromobicyclo[2.2.1]heptane-2-carboxylic acid
CID 155784715
CID 155657955
CID 155657955
1-(1-bicyclo[2.2.1]heptanyl)prop-2-en-1-one
CID 139998340
1-ethenylcyclohexane-1,2-dicarboxylic acid
CID 156868252
(2-hydroxy-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 140551082
1-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 150227987
1-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 140580840
4,4-bis(ethenyl)cyclohexane-1-carboxylic acid
CID 139611039
1-prop-2-enoylcyclohexane-1,2-dicarboxylic acid
CID 67543785
(1R,3S,5R)-5-ethenyl-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 153306746

Frequently Asked Questions

What is the IUPAC name of 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 70545020) is 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid is C=CC12CCC(CC1C(=O)O)C2.
What is the InChIKey of 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is QSASIVIQSBNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10-4-3-7(6-10)5-8(10)9(11)12/h2,7-8H,1,3-6H2,(H,11,12).
What are the key properties of 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid?
1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 166.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 70545020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).