(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid

C9H10O2 — CID 19695148

IUPAC(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid
SMILESO=C(O)/C=C/C1C=CC=CC1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-4,6-8H,5H2,(H,10,11)/b7-6+
InChIKeyKJBYDOBMZHMKBD-VOTSOKGWSA-N
MW150.18 g/mol
LogP1.76
Rot. Bonds2

About (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid

(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid (PubChem CID 19695148) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid
PubChem CID19695148
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid
SMILESO=C(O)/C=C/C1C=CC=CC1
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-4,6-8H,5H2,(H,10,11)/b7-6+
InChIKeyKJBYDOBMZHMKBD-VOTSOKGWSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid?
The IUPAC name of (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid (CID 19695148) is (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid is O=C(O)/C=C/C1C=CC=CC1.
What is the InChIKey of (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid?
The InChIKey is KJBYDOBMZHMKBD-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-4,6-8H,5H2,(H,10,11)/b7-6+.
What are the key properties of (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid?
(E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid has a molecular weight of 150.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexa-2,4-dien-1-ylprop-2-enoic acid is sourced from PubChem (CID 19695148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).