(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid

C8H10O2 — CID 84648331

IUPAC(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESC[C@]12CC=CC1[C@H]2C(=O)O
InChIInChI=1S/C8H10O2/c1-8-4-2-3-5(8)6(8)7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5?,6-,8-/m0/s1
InChIKeySSWJFIOJCLGGIA-SXSZQIEUSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds1

About (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid

(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid (PubChem CID 84648331) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid.

Molecular Properties

Compound Name(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid
PubChem CID84648331
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid
SMILESC[C@]12CC=CC1[C@H]2C(=O)O
InChIInChI=1S/C8H10O2/c1-8-4-2-3-5(8)6(8)7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5?,6-,8-/m0/s1
InChIKeySSWJFIOJCLGGIA-SXSZQIEUSA-N
XLogP1.28
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 ≤ 51.28
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

tricyclo[4.4.1.01,6]undeca-3,8-diene-11-carboxylic acid
CID 11074200
1-[(1S)-2,6,6-trimethylcyclohex-3-en-1-yl]ethanone
CID 66809990
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
1,2-dimethylcyclobutane-1,2,3,4-tetracarboxylic acid
CID 161314023
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
(1R,2S)-3,3,5-trimethylcyclohex-4-ene-1,2-dicarboxylic acid
CID 686718
(1R,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 98532182
(2S)-2-methylcyclopropane-1-carboxylic acid
CID 70278837
trans-(1R,2R)-2-methylcyclopropane-1-carboxylic acid
CID 6995705
1,2-dimethylcyclopent-3-ene-1-carboxamide
CID 175106754
7,7-diamino-1-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 70213280
4-chloro-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one
CID 22887861

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The IUPAC name of (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid (CID 84648331) is (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid.
What is the SMILES notation for (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The canonical SMILES for (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid is C[C@]12CC=CC1[C@H]2C(=O)O.
What is the InChIKey of (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
The InChIKey is SSWJFIOJCLGGIA-SXSZQIEUSA-N. The full InChI is InChI=1S/C8H10O2/c1-8-4-2-3-5(8)6(8)7(9)10/h2-3,5-6H,4H2,1H3,(H,9,10)/t5?,6-,8-/m0/s1.
What are the key properties of (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid?
(5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid has a molecular weight of 138.17 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-methylbicyclo[3.1.0]hex-2-ene-6-carboxylic acid is sourced from PubChem (CID 84648331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).