(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid

C9H10O2 — CID 22223309

IUPAC(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid
SMILESO=C(O)/C=C1/CC2C=CCC12
InChIInChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1-2,5-6,8H,3-4H2,(H,10,11)/b7-5-
InChIKeyZWPXOMBODYZQHH-ALCCZGGFSA-N
MW150.18 g/mol
LogP1.59
Rot. Bonds1

About (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid

(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid (PubChem CID 22223309) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid
PubChem CID22223309
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid
SMILESO=C(O)/C=C1/CC2C=CCC12
InChIInChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1-2,5-6,8H,3-4H2,(H,10,11)/b7-5-
InChIKeyZWPXOMBODYZQHH-ALCCZGGFSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid?
The IUPAC name of (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid (CID 22223309) is (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid?
The canonical SMILES for (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid is O=C(O)/C=C1/CC2C=CCC12.
What is the InChIKey of (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid?
The InChIKey is ZWPXOMBODYZQHH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(11)5-7-4-6-2-1-3-8(6)7/h1-2,5-6,8H,3-4H2,(H,10,11)/b7-5-.
What are the key properties of (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid?
(2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid has a molecular weight of 150.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-bicyclo[3.2.0]hept-2-enylidene)acetic acid is sourced from PubChem (CID 22223309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).