(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid

C8H8O4 — CID 131186543

IUPAC(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid
SMILESO=C(O)[C@@]12CC=C[C@]1(C(=O)O)C2
InChIInChI=1S/C8H8O4/c9-5(10)7-2-1-3-8(7,4-7)6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/t7-,8+/m1/s1
InChIKeyKSTODAOVDHCBRT-SFYZADRCSA-N
MW168.15 g/mol
LogP0.49
Rot. Bonds2

About (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid

(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid (PubChem CID 131186543) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid.

Molecular Properties

Compound Name(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid
PubChem CID131186543
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid
SMILESO=C(O)[C@@]12CC=C[C@]1(C(=O)O)C2
InChIInChI=1S/C8H8O4/c9-5(10)7-2-1-3-8(7,4-7)6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/t7-,8+/m1/s1
InChIKeyKSTODAOVDHCBRT-SFYZADRCSA-N
XLogP0.49
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.49
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

(1S)-1-[(1S)-1-carboxycyclohex-3-en-1-yl]cyclohex-3-ene-1-carboxylic acid
CID 175074133
1-(1-carboxycyclobut-2-ene-1-carbonyl)oxycarbonylcyclobut-2-ene-1-carboxylic acid
CID 87233983
3-methyl-1-sulfanylcyclohex-4-ene-1,3-dicarboxylic acid
CID 150252255
3-methyl-1-propan-2-ylcyclohex-4-ene-1,3-dicarboxylic acid
CID 150580492
tricyclo[4.4.1.01,6]undeca-3,8-diene-11,11-dicarboxylic acid
CID 12857931
2,2-difluoro-3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 175668470
bicyclo[4.1.0]hept-3-ene-7,7-dicarboxylic acid
CID 82254106
1-(1-hydroxycyclopropyl)cyclopropane-1-carboxylic acid
CID 130756659
1-methyl-3-(4-methylsulfonylphenyl)cyclohex-4-ene-1,3-dicarboxylic acid
CID 151445907
1-fluorocyclobut-2-ene-1-sulfinic acid
CID 174797181
1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
CID 45086440
2-oxo-2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetic acid
CID 55277575

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid?
The IUPAC name of (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid (CID 131186543) is (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid.
What is the SMILES notation for (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid?
The canonical SMILES for (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid is O=C(O)[C@@]12CC=C[C@]1(C(=O)O)C2.
What is the InChIKey of (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid?
The InChIKey is KSTODAOVDHCBRT-SFYZADRCSA-N. The full InChI is InChI=1S/C8H8O4/c9-5(10)7-2-1-3-8(7,4-7)6(11)12/h1-2H,3-4H2,(H,9,10)(H,11,12)/t7-,8+/m1/s1.
What are the key properties of (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid?
(1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-bicyclo[3.1.0]hex-2-ene-1,5-dicarboxylic acid is sourced from PubChem (CID 131186543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).