(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid

C8H8O2 — CID 139242652

IUPAC(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid
SMILESC/C=C1\C=CC(C(=O)O)=C1
InChIInChI=1S/C8H8O2/c1-2-6-3-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/b6-2+
InChIKeyRLHYMNAXKFLEAM-QHHAFSJGSA-N
MW136.15 g/mol
LogP1.51
Rot. Bonds1

About (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid

(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid (PubChem CID 139242652) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid
PubChem CID139242652
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid
SMILESC/C=C1\C=CC(C(=O)O)=C1
InChIInChI=1S/C8H8O2/c1-2-6-3-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/b6-2+
InChIKeyRLHYMNAXKFLEAM-QHHAFSJGSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid?
The IUPAC name of (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid (CID 139242652) is (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid.
What is the SMILES notation for (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid?
The canonical SMILES for (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid is C/C=C1\C=CC(C(=O)O)=C1.
What is the InChIKey of (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid?
The InChIKey is RLHYMNAXKFLEAM-QHHAFSJGSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-6-3-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)/b6-2+.
What are the key properties of (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid?
(3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid has a molecular weight of 136.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidenecyclopenta-1,4-diene-1-carboxylic acid is sourced from PubChem (CID 139242652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).