(E)-3-naphthalen-2-ylprop-2-enoic acid

C13H10O2 — CID 735835

IUPAC(E)-3-naphthalen-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+
InChIKeyKWGPBDBAAXYWOJ-SOFGYWHQSA-N
MW198.22 g/mol
LogP2.94
Rot. Bonds2

About (E)-3-naphthalen-2-ylprop-2-enoic acid

(E)-3-naphthalen-2-ylprop-2-enoic acid (PubChem CID 735835) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (E)-3-naphthalen-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-naphthalen-2-ylprop-2-enoic acid
PubChem CID735835
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name(E)-3-naphthalen-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+
InChIKeyKWGPBDBAAXYWOJ-SOFGYWHQSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.94
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-naphthalen-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-naphthalen-2-ylprop-2-enoic acid (CID 735835) is (E)-3-naphthalen-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-naphthalen-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-naphthalen-2-ylprop-2-enoic acid is O=C(O)/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-naphthalen-2-ylprop-2-enoic acid?
The InChIKey is KWGPBDBAAXYWOJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/b8-6+.
What are the key properties of (E)-3-naphthalen-2-ylprop-2-enoic acid?
(E)-3-naphthalen-2-ylprop-2-enoic acid has a molecular weight of 198.22 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-ylprop-2-enoic acid is sourced from PubChem (CID 735835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).