(2E)-2-cyclohex-3-en-1-ylideneacetic acid

C8H10O2 — CID 55302338

IUPAC(2E)-2-cyclohex-3-en-1-ylideneacetic acid
SMILESO=C(O)/C=C1/CC=CCC1
InChIInChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,6H,3-5H2,(H,9,10)/b7-6-
InChIKeyTZXWJGUPIUPLMA-SREVYHEPSA-N
MW138.17 g/mol
LogP1.74
Rot. Bonds1

About (2E)-2-cyclohex-3-en-1-ylideneacetic acid

(2E)-2-cyclohex-3-en-1-ylideneacetic acid (PubChem CID 55302338) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E)-2-cyclohex-3-en-1-ylideneacetic acid.

Molecular Properties

Compound Name(2E)-2-cyclohex-3-en-1-ylideneacetic acid
PubChem CID55302338
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(2E)-2-cyclohex-3-en-1-ylideneacetic acid
SMILESO=C(O)/C=C1/CC=CCC1
InChIInChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,6H,3-5H2,(H,9,10)/b7-6-
InChIKeyTZXWJGUPIUPLMA-SREVYHEPSA-N
XLogP1.74
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 ≤ 51.74
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 (2E)-2-cyclohex-3-en-1-ylideneacetic acid?
The IUPAC name of (2E)-2-cyclohex-3-en-1-ylideneacetic acid (CID 55302338) is (2E)-2-cyclohex-3-en-1-ylideneacetic acid.
What is the SMILES notation for (2E)-2-cyclohex-3-en-1-ylideneacetic acid?
The canonical SMILES for (2E)-2-cyclohex-3-en-1-ylideneacetic acid is O=C(O)/C=C1/CC=CCC1.
What is the InChIKey of (2E)-2-cyclohex-3-en-1-ylideneacetic acid?
The InChIKey is TZXWJGUPIUPLMA-SREVYHEPSA-N. The full InChI is InChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-2,6H,3-5H2,(H,9,10)/b7-6-.
What are the key properties of (2E)-2-cyclohex-3-en-1-ylideneacetic acid?
(2E)-2-cyclohex-3-en-1-ylideneacetic acid has a molecular weight of 138.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyclohex-3-en-1-ylideneacetic acid is sourced from PubChem (CID 55302338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).