2-(3-bicyclo[3.2.0]heptanylidene)acetic acid

C9H12O2 — CID 77313618

IUPAC2-(3-bicyclo[3.2.0]heptanylidene)acetic acid
SMILESO=C(O)C=C1CC2CCC2C1
InChIInChI=1S/C9H12O2/c10-9(11)5-6-3-7-1-2-8(7)4-6/h5,7-8H,1-4H2,(H,10,11)
InChIKeyQZFXSLHQBGUCCJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid

2-(3-bicyclo[3.2.0]heptanylidene)acetic acid (PubChem CID 77313618) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid.

Molecular Properties

Compound Name2-(3-bicyclo[3.2.0]heptanylidene)acetic acid
PubChem CID77313618
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(3-bicyclo[3.2.0]heptanylidene)acetic acid
SMILESO=C(O)C=C1CC2CCC2C1
InChIInChI=1S/C9H12O2/c10-9(11)5-6-3-7-1-2-8(7)4-6/h5,7-8H,1-4H2,(H,10,11)
InChIKeyQZFXSLHQBGUCCJ-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bicyclo[3.2.0]heptanylidene)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 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid?
The IUPAC name of 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid (CID 77313618) is 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid.
What is the SMILES notation for 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid?
The canonical SMILES for 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid is O=C(O)C=C1CC2CCC2C1.
What is the InChIKey of 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid?
The InChIKey is QZFXSLHQBGUCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(11)5-6-3-7-1-2-8(7)4-6/h5,7-8H,1-4H2,(H,10,11).
What are the key properties of 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid?
2-(3-bicyclo[3.2.0]heptanylidene)acetic acid has a molecular weight of 152.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.2.0]heptanylidene)acetic acid is sourced from PubChem (CID 77313618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).