ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate

C9H12O4 — CID 71474213

IUPACethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate
SMILESCCOC(=O)/C(O)=C1\CCCC1=O
InChIInChI=1S/C9H12O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h11H,2-5H2,1H3/b8-6-
InChIKeyVADQBTGXCYERPO-VURMDHGXSA-N
MW184.19 g/mol
LogP1.11
Rot. Bonds2

About ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate

ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate (PubChem CID 71474213) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate
PubChem CID71474213
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Nameethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate
SMILESCCOC(=O)/C(O)=C1\CCCC1=O
InChIInChI=1S/C9H12O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h11H,2-5H2,1H3/b8-6-
InChIKeyVADQBTGXCYERPO-VURMDHGXSA-N
XLogP1.11
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Hkudfflygmmkkq-vurmdhgxsa-
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ethyl (2Z)-2-hydroxy-2-(2-oxocyclohexylidene)acetate
CID 71474215
(-)-5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
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(E)-ethyl 2-hydroxy-2-(2-oxo-dihydro-2H-pyran-3(4H)-ylidene)acetate
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Vagqebrhurwykk-uhfffaoysa-
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3-Hydroxy-4-propylfuran-2,5-dione
CID 76764573
Ethyl 2-hydroxy-3-methyl-4-oxopent-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate?
The IUPAC name of ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate (CID 71474213) is ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate is CCOC(=O)/C(O)=C1\CCCC1=O.
What is the InChIKey of ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate?
The InChIKey is VADQBTGXCYERPO-VURMDHGXSA-N. The full InChI is InChI=1S/C9H12O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h11H,2-5H2,1H3/b8-6-.
What are the key properties of ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate?
ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate has a molecular weight of 184.19 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate is sourced from PubChem (CID 71474213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).