(E)-4-naphthalen-2-ylbut-2-enoic acid

C14H12O2 — CID 11789094

IUPAC(E)-4-naphthalen-2-ylbut-2-enoic acid
SMILESO=C(O)/C=C/Cc1ccc2ccccc2c1
InChIInChI=1S/C14H12O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-3,5-10H,4H2,(H,15,16)/b7-3+
InChIKeyHLFWSQJNQPEIGC-XVNBXDOJSA-N
MW212.25 g/mol
LogP3.02
Rot. Bonds3

About (E)-4-naphthalen-2-ylbut-2-enoic acid

(E)-4-naphthalen-2-ylbut-2-enoic acid (PubChem CID 11789094) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (E)-4-naphthalen-2-ylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-naphthalen-2-ylbut-2-enoic acid
PubChem CID11789094
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(E)-4-naphthalen-2-ylbut-2-enoic acid
SMILESO=C(O)/C=C/Cc1ccc2ccccc2c1
InChIInChI=1S/C14H12O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-3,5-10H,4H2,(H,15,16)/b7-3+
InChIKeyHLFWSQJNQPEIGC-XVNBXDOJSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.02
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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Related Compounds

methyl (E)-4-naphthalen-2-ylbut-2-enoate
CID 59030798
(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
CID 59268445
(E)-4-[methyl(2-naphthalen-2-ylethyl)amino]but-2-enoic acid
CID 115237385
4-(4-methoxyphenyl)but-2-enoic acid
CID 57252854
4-[benzyl(naphthalen-2-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 68879443
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
CID 177483326
(E)-4-(2-naphthalen-2-ylethylamino)-4-oxobut-2-enoic acid
CID 115177298
CID 173442082
CID 173442082
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 13477078
(E)-4-(4-formylphenyl)but-2-enoic acid
CID 167512845
sodium 2-naphthalen-2-ylacetate
CID 23688045

Frequently Asked Questions

What is the IUPAC name of (E)-4-naphthalen-2-ylbut-2-enoic acid?
The IUPAC name of (E)-4-naphthalen-2-ylbut-2-enoic acid (CID 11789094) is (E)-4-naphthalen-2-ylbut-2-enoic acid.
What is the SMILES notation for (E)-4-naphthalen-2-ylbut-2-enoic acid?
The canonical SMILES for (E)-4-naphthalen-2-ylbut-2-enoic acid is O=C(O)/C=C/Cc1ccc2ccccc2c1.
What is the InChIKey of (E)-4-naphthalen-2-ylbut-2-enoic acid?
The InChIKey is HLFWSQJNQPEIGC-XVNBXDOJSA-N. The full InChI is InChI=1S/C14H12O2/c15-14(16)7-3-4-11-8-9-12-5-1-2-6-13(12)10-11/h1-3,5-10H,4H2,(H,15,16)/b7-3+.
What are the key properties of (E)-4-naphthalen-2-ylbut-2-enoic acid?
(E)-4-naphthalen-2-ylbut-2-enoic acid has a molecular weight of 212.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-naphthalen-2-ylbut-2-enoic acid is sourced from PubChem (CID 11789094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).