(E)-5-naphthalen-2-ylpent-4-enoic acid

C15H14O2 — CID 10263103

IUPAC(E)-5-naphthalen-2-ylpent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H14O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h1-3,5-7,9-11H,4,8H2,(H,16,17)/b5-1+
InChIKeyZWXPVSGTKRESFU-ORCRQEGFSA-N
MW226.27 g/mol
LogP3.72
Rot. Bonds4

About (E)-5-naphthalen-2-ylpent-4-enoic acid

(E)-5-naphthalen-2-ylpent-4-enoic acid (PubChem CID 10263103) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is (E)-5-naphthalen-2-ylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-5-naphthalen-2-ylpent-4-enoic acid
PubChem CID10263103
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name(E)-5-naphthalen-2-ylpent-4-enoic acid
SMILESO=C(O)CC/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C15H14O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h1-3,5-7,9-11H,4,8H2,(H,16,17)/b5-1+
InChIKeyZWXPVSGTKRESFU-ORCRQEGFSA-N
XLogP3.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-5-naphthalen-2-ylpent-4-enoic acid?
The IUPAC name of (E)-5-naphthalen-2-ylpent-4-enoic acid (CID 10263103) is (E)-5-naphthalen-2-ylpent-4-enoic acid.
What is the SMILES notation for (E)-5-naphthalen-2-ylpent-4-enoic acid?
The canonical SMILES for (E)-5-naphthalen-2-ylpent-4-enoic acid is O=C(O)CC/C=C/c1ccc2ccccc2c1.
What is the InChIKey of (E)-5-naphthalen-2-ylpent-4-enoic acid?
The InChIKey is ZWXPVSGTKRESFU-ORCRQEGFSA-N. The full InChI is InChI=1S/C15H14O2/c16-15(17)8-4-1-5-12-9-10-13-6-2-3-7-14(13)11-12/h1-3,5-7,9-11H,4,8H2,(H,16,17)/b5-1+.
What are the key properties of (E)-5-naphthalen-2-ylpent-4-enoic acid?
(E)-5-naphthalen-2-ylpent-4-enoic acid has a molecular weight of 226.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-naphthalen-2-ylpent-4-enoic acid is sourced from PubChem (CID 10263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).