methyl (3Z)-3-(3-oxocyclopentylidene)propanoate

C9H12O3 — CID 59994770

IUPACmethyl (3Z)-3-(3-oxocyclopentylidene)propanoate
SMILESCOC(=O)C/C=C1/CCC(=O)C1
InChIInChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h3H,2,4-6H2,1H3/b7-3-
InChIKeyWFRZKNYSJFZPPL-CLTKARDFSA-N
MW168.19 g/mol
LogP1.23
Rot. Bonds2

About methyl (3Z)-3-(3-oxocyclopentylidene)propanoate

methyl (3Z)-3-(3-oxocyclopentylidene)propanoate (PubChem CID 59994770) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is methyl (3Z)-3-(3-oxocyclopentylidene)propanoate.

Molecular Properties

Compound Namemethyl (3Z)-3-(3-oxocyclopentylidene)propanoate
PubChem CID59994770
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Namemethyl (3Z)-3-(3-oxocyclopentylidene)propanoate
SMILESCOC(=O)C/C=C1/CCC(=O)C1
InChIInChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h3H,2,4-6H2,1H3/b7-3-
InChIKeyWFRZKNYSJFZPPL-CLTKARDFSA-N
XLogP1.23
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 171951483
methyl 3-(9-azabicyclo[3.3.1]nonan-3-ylidene)propanoate
CID 171951475
methyl 2-[(3-oxocyclohexylidene)amino]acetate
CID 123778468
(3-methoxy-3-oxopropylidene)tin
CID 88790044
CID 88705045
CID 88705045
tert-butyl 3-(3-methoxy-3-oxopropylidene)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951478
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
ethane;methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 143593823
1-O-methyl 4-O-(4-oxocyclohexyl) butanedioate
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methyl (3E)-3-[2-(2-methoxy-2-oxoethyl)-3,3-dimethylcyclohexylidene]propanoate
CID 10880097

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-(3-oxocyclopentylidene)propanoate?
The IUPAC name of methyl (3Z)-3-(3-oxocyclopentylidene)propanoate (CID 59994770) is methyl (3Z)-3-(3-oxocyclopentylidene)propanoate.
What is the SMILES notation for methyl (3Z)-3-(3-oxocyclopentylidene)propanoate?
The canonical SMILES for methyl (3Z)-3-(3-oxocyclopentylidene)propanoate is COC(=O)C/C=C1/CCC(=O)C1.
What is the InChIKey of methyl (3Z)-3-(3-oxocyclopentylidene)propanoate?
The InChIKey is WFRZKNYSJFZPPL-CLTKARDFSA-N. The full InChI is InChI=1S/C9H12O3/c1-12-9(11)5-3-7-2-4-8(10)6-7/h3H,2,4-6H2,1H3/b7-3-.
What are the key properties of methyl (3Z)-3-(3-oxocyclopentylidene)propanoate?
methyl (3Z)-3-(3-oxocyclopentylidene)propanoate has a molecular weight of 168.19 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-3-(3-oxocyclopentylidene)propanoate is sourced from PubChem (CID 59994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).