methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate

C18H20O3 — CID 66722546

IUPACmethyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC/C(=C/C1CCCC1)C2=O
InChIInChI=1S/C18H20O3/c1-21-18(20)15-8-9-16-13(11-15)6-7-14(17(16)19)10-12-4-2-3-5-12/h8-12H,2-7H2,1H3/b14-10-
InChIKeyOWUBFRQSDPZYQG-UVTDQMKNSA-N
MW284.36 g/mol
LogP3.72
Rot. Bonds2

About methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate

methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate (PubChem CID 66722546) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
PubChem CID66722546
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Namemethyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC/C(=C/C1CCCC1)C2=O
InChIInChI=1S/C18H20O3/c1-21-18(20)15-8-9-16-13(11-15)6-7-14(17(16)19)10-12-4-2-3-5-12/h8-12H,2-7H2,1H3/b14-10-
InChIKeyOWUBFRQSDPZYQG-UVTDQMKNSA-N
XLogP3.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate?
The IUPAC name of methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate (CID 66722546) is methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate?
The canonical SMILES for methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)CC/C(=C/C1CCCC1)C2=O.
What is the InChIKey of methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate?
The InChIKey is OWUBFRQSDPZYQG-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-18(20)15-8-9-16-13(11-15)6-7-14(17(16)19)10-12-4-2-3-5-12/h8-12H,2-7H2,1H3/b14-10-.
What are the key properties of methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate?
methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6Z)-6-(cyclopentylmethylidene)-5-oxo-7,8-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 66722546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).