(2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid

C9H12O2 — CID 102551208

IUPAC(2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid
SMILESO=C(O)/C=C1\CC2CCCC12
InChIInChI=1S/C9H12O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h5-6,8H,1-4H2,(H,10,11)/b7-5+
InChIKeyAJWOMHSXQUJQFJ-FNORWQNLSA-N
MW152.19 g/mol
LogP1.82
Rot. Bonds1

About (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid

(2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid (PubChem CID 102551208) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid.

Molecular Properties

Compound Name(2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid
PubChem CID102551208
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid
SMILESO=C(O)/C=C1\CC2CCCC12
InChIInChI=1S/C9H12O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h5-6,8H,1-4H2,(H,10,11)/b7-5+
InChIKeyAJWOMHSXQUJQFJ-FNORWQNLSA-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 (2E)-2-(6-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

Related Compounds

ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]acetate
CID 59077267
2-(3-bicyclo[3.2.0]heptanylidene)acetic acid
CID 77313618
(2Z)-2-[(1R,5S)-3-ethenyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68670852
2-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68617991
(1S,5S)-bicyclo[3.2.0]heptan-6-one;(1R,5R)-bicyclo[3.2.0]heptan-6-one
CID 161069334
(2E)-2-[(2S)-2-methylcyclohexylidene]acetic acid
CID 12956886
2-[(1R,5R)-4-methyl-6-bicyclo[3.2.0]hept-3-enylidene]acetic acid
CID 68616017
(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane
CID 177432838
2-ethylidenebicyclo[2.2.0]hexane
CID 123670014
(1R,13R)-bicyclo[11.2.0]pentadecan-14-one
CID 24895078
(2E)-2-(3-methylcyclohexylidene)acetic acid
CID 12956868
2-(8-thiabicyclo[3.2.1]octan-3-ylidene)acetic acid
CID 171951528

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid?
The IUPAC name of (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid (CID 102551208) is (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid.
What is the SMILES notation for (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid?
The canonical SMILES for (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid is O=C(O)/C=C1\CC2CCCC12.
What is the InChIKey of (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid?
The InChIKey is AJWOMHSXQUJQFJ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H12O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h5-6,8H,1-4H2,(H,10,11)/b7-5+.
What are the key properties of (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid?
(2E)-2-(6-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 (2E)-2-(6-bicyclo[3.2.0]heptanylidene)acetic acid is sourced from PubChem (CID 102551208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).