ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid

C16H14O4 — CID 175176672

IUPACethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
SMILESC=C.O=C(O)/C=C(\C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H10O4.C2H4/c15-13(16)8-12(14(17)18)11-7-3-5-9-4-1-2-6-10(9)11;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2/b12-8-;
InChIKeySSZNPECPLOTWII-JCTPKUEWSA-N
MW270.28 g/mol
LogP3.19
Rot. Bonds3

About ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid

ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid (PubChem CID 175176672) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid.

Molecular Properties

Compound Nameethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
PubChem CID175176672
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Nameethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid
SMILESC=C.O=C(O)/C=C(\C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H10O4.C2H4/c15-13(16)8-12(14(17)18)11-7-3-5-9-4-1-2-6-10(9)11;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2/b12-8-;
InChIKeySSZNPECPLOTWII-JCTPKUEWSA-N
XLogP3.19
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-hydroxy-2-naphthalen-1-ylprop-2-enoic acid
CID 70525450
(Z)-2-anthracen-1-ylbut-2-enedioic acid;ethane-1,2-diol
CID 174360999
2-naphthalen-1-yl-4-oxobut-2-enoic acid
CID 173237233
(Z)-2-naphthalen-1-yl-3-thiophen-2-ylprop-2-enoic acid
CID 6306228
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
(E)-1,1,1-trifluoro-4-hydroxy-4-naphthalen-1-ylbut-3-en-2-one
CID 67502188
(Z)-4-hydroxy-1-naphthalen-1-yl-3,4-dioxobut-1-en-1-olate
CID 54705150
(Z)-3-(4-ethylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83953224
4-amino-3-anthracen-1-yl-4-oxobut-2-enoic acid
CID 173302358
1-naphthalen-1-ylbut-3-en-1-one
CID 11030731
(Z)-3-(4-methoxycarbonylphenyl)-2-naphthalen-1-ylprop-2-enoic acid
CID 83954143
(E)-2-[2-[(E)-1,2-dicarboxyethenyl]quinolin-3-yl]but-2-enedioic acid
CID 150385292

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid?
The IUPAC name of ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid (CID 175176672) is ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid.
What is the SMILES notation for ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid?
The canonical SMILES for ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid is C=C.O=C(O)/C=C(\C(=O)O)c1cccc2ccccc12.
What is the InChIKey of ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid?
The InChIKey is SSZNPECPLOTWII-JCTPKUEWSA-N. The full InChI is InChI=1S/C14H10O4.C2H4/c15-13(16)8-12(14(17)18)11-7-3-5-9-4-1-2-6-10(9)11;1-2/h1-8H,(H,15,16)(H,17,18);1-2H2/b12-8-;.
What are the key properties of ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid?
ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid has a molecular weight of 270.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-2-naphthalen-1-ylbut-2-enedioic acid is sourced from PubChem (CID 175176672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).