but-2-enoic acid;copper;naphthalene-2-carboxylic acid

C15H14CuO4 — CID 161418912

IUPACbut-2-enoic acid;copper;naphthalene-2-carboxylic acid
SMILESCC=CC(=O)O.O=C(O)c1ccc2ccccc2c1.[Cu]
InChIInChI=1S/C11H8O2.C4H6O2.Cu/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4(5)6;/h1-7H,(H,12,13);2-3H,1H3,(H,5,6);
InChIKeyVWLPFCREPIASAL-UHFFFAOYSA-N
MW321.82 g/mol
LogP3.18
Rot. Bonds2

About but-2-enoic acid;copper;naphthalene-2-carboxylic acid

but-2-enoic acid;copper;naphthalene-2-carboxylic acid (PubChem CID 161418912) has the molecular formula C15H14CuO4 and a molecular weight of 321.82 g/mol. Its IUPAC name is but-2-enoic acid;copper;naphthalene-2-carboxylic acid.

Molecular Properties

Compound Namebut-2-enoic acid;copper;naphthalene-2-carboxylic acid
PubChem CID161418912
Molecular FormulaC15H14CuO4
Molecular Weight321.82 g/mol
Exact Mass321.02
IUPAC Namebut-2-enoic acid;copper;naphthalene-2-carboxylic acid
SMILESCC=CC(=O)O.O=C(O)c1ccc2ccccc2c1.[Cu]
InChIInChI=1S/C11H8O2.C4H6O2.Cu/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4(5)6;/h1-7H,(H,12,13);2-3H,1H3,(H,5,6);
InChIKeyVWLPFCREPIASAL-UHFFFAOYSA-N
XLogP3.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
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ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;naphthalen-2-ol
CID 161405760
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
4-(4-carboxyphenyl)benzoic acid;naphthalene-2,6-dicarboxylic acid;(E)-4-oxopent-2-enoic acid;terephthalic acid
CID 161449325
ethene;naphthalene-2,6-dicarboxylic acid
CID 66988682
naphthalene-2,7-dicarboxylic acid;hydrobromide
CID 175255726

Frequently Asked Questions

What is the IUPAC name of but-2-enoic acid;copper;naphthalene-2-carboxylic acid?
The IUPAC name of but-2-enoic acid;copper;naphthalene-2-carboxylic acid (CID 161418912) is but-2-enoic acid;copper;naphthalene-2-carboxylic acid.
What is the SMILES notation for but-2-enoic acid;copper;naphthalene-2-carboxylic acid?
The canonical SMILES for but-2-enoic acid;copper;naphthalene-2-carboxylic acid is CC=CC(=O)O.O=C(O)c1ccc2ccccc2c1.[Cu].
What is the InChIKey of but-2-enoic acid;copper;naphthalene-2-carboxylic acid?
The InChIKey is VWLPFCREPIASAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2.C4H6O2.Cu/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10;1-2-3-4(5)6;/h1-7H,(H,12,13);2-3H,1H3,(H,5,6);.
What are the key properties of but-2-enoic acid;copper;naphthalene-2-carboxylic acid?
but-2-enoic acid;copper;naphthalene-2-carboxylic acid has a molecular weight of 321.82 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enoic acid;copper;naphthalene-2-carboxylic acid is sourced from PubChem (CID 161418912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).