(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid

C11H12O2 — CID 68670852

IUPAC(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESC=CC1=C[C@H]2/C(=C\C(=O)O)C[C@H]2C1
InChIInChI=1S/C11H12O2/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7/h2,4,6,8,10H,1,3,5H2,(H,12,13)/b9-6-/t8-,10-/m1/s1
InChIKeyYYEJARSATPQUBK-VGEVTBTPSA-N
MW176.22 g/mol
LogP2.15
Rot. Bonds2

About (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid

(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (PubChem CID 68670852) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.

Molecular Properties

Compound Name(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
PubChem CID68670852
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
SMILESC=CC1=C[C@H]2/C(=C\C(=O)O)C[C@H]2C1
InChIInChI=1S/C11H12O2/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7/h2,4,6,8,10H,1,3,5H2,(H,12,13)/b9-6-/t8-,10-/m1/s1
InChIKeyYYEJARSATPQUBK-VGEVTBTPSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The IUPAC name of (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid (CID 68670852) is (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid.
What is the SMILES notation for (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The canonical SMILES for (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is C=CC1=C[C@H]2/C(=C\C(=O)O)C[C@H]2C1.
What is the InChIKey of (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
The InChIKey is YYEJARSATPQUBK-VGEVTBTPSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-7-3-8-5-9(6-11(12)13)10(8)4-7/h2,4,6,8,10H,1,3,5H2,(H,12,13)/b9-6-/t8-,10-/m1/s1.
What are the key properties of (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid?
(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid has a molecular weight of 176.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid is sourced from PubChem (CID 68670852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).