(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid

C8H10O3 — CID 130847459

IUPAC(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)[C@]12C=C[C@H](C[C@@H]1O)C2
InChIInChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6,9H,3-4H2,(H,10,11)/t5-,6+,8+/m1/s1
InChIKeyLIILAWUBLWDGFK-CHKWXVPMSA-N
MW154.16 g/mol
LogP0.40
Rot. Bonds1

About (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid

(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid (PubChem CID 130847459) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid
PubChem CID130847459
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid
SMILESO=C(O)[C@]12C=C[C@H](C[C@@H]1O)C2
InChIInChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6,9H,3-4H2,(H,10,11)/t5-,6+,8+/m1/s1
InChIKeyLIILAWUBLWDGFK-CHKWXVPMSA-N
XLogP0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.2]oct-5-ene-1,2-dicarboxylic acid
CID 13419746
methyl 6-acetyloxybicyclo[2.2.1]hept-2-ene-1-carboxylate
CID 539335
1-trimethylsilylbicyclo[2.2.1]hept-5-en-2-ol
CID 90788649
(1S,2S,4S)-1-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 68753718
(1R,2R,4S)-1-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 131846039
sodium;(Z)-2-(6-cyano-1-bicyclo[2.2.1]hept-2-enyl)but-2-enedioic acid;hydride
CID 173454471
2,2,2-trifluoroethyl 6-methylbicyclo[2.2.1]hept-2-ene-1-carboxylate
CID 139964431
bicyclo[2.2.1]hept-5-ene-1,2,2-tricarboxylic acid
CID 141446515
2-(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 14806086
(1R,2R,4S)-2-chlorobicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6993758
1-N,1-N-bis(prop-2-enyl)bicyclo[2.2.1]hept-5-ene-1,2-dicarboxamide
CID 174429804
1-(1-methyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 45085861

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The IUPAC name of (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid (CID 130847459) is (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid.
What is the SMILES notation for (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The canonical SMILES for (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid is O=C(O)[C@]12C=C[C@H](C[C@@H]1O)C2.
What is the InChIKey of (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
The InChIKey is LIILAWUBLWDGFK-CHKWXVPMSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-3-5-1-2-8(6,4-5)7(10)11/h1-2,5-6,9H,3-4H2,(H,10,11)/t5-,6+,8+/m1/s1.
What are the key properties of (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid?
(1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid has a molecular weight of 154.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-6-hydroxybicyclo[2.2.1]hept-2-ene-1-carboxylic acid is sourced from PubChem (CID 130847459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).