bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid

C8H10O2 — CID 56979456

IUPACbicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid
SMILESO=C(O)C1CC2CC=C1C2
InChIInChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h2,5,7H,1,3-4H2,(H,9,10)
InChIKeyRZVZHPHAYJUGRL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid

bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid (PubChem CID 56979456) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid
PubChem CID56979456
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namebicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid
SMILESO=C(O)C1CC2CC=C1C2
InChIInChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h2,5,7H,1,3-4H2,(H,9,10)
InChIKeyRZVZHPHAYJUGRL-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
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

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
5-Norbornene-2-carboxylic acid
CID 78949
2-Methylbicyclo[2.2.1]-5-heptene-2-carboxylic acid
CID 136650
Bicyclo(2.2.1)hept-2-ene-2-carboxylic acid
CID 281894
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, alpha-methyl-4-(1-methylcyclopentyl)-
CID 206760
Bicyclo[2.2.1]hept-2-ene-1-carboxylic acid
CID 17851595
CID 260719
CID 260719
2-(1-Cyclohexen-1-yl)hexanoic acid
CID 241595
rel-(1R,2S,4R)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 721733
(2r)-2-Methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10877312

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid?
The IUPAC name of bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid (CID 56979456) is bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid.
What is the SMILES notation for bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid?
The canonical SMILES for bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid is O=C(O)C1CC2CC=C1C2.
What is the InChIKey of bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid?
The InChIKey is RZVZHPHAYJUGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h2,5,7H,1,3-4H2,(H,9,10).
What are the key properties of bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid?
bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-1(6)-ene-2-carboxylic acid is sourced from PubChem (CID 56979456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).