ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate

C9H10O4 — CID 6391163

IUPACethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
SMILESCCOC(=O)/C(O)=C1/CC=CC1=O
InChIInChI=1S/C9H10O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h3,5,11H,2,4H2,1H3/b8-6+
InChIKeyHKUDFFLYGMMKKQ-SOFGYWHQSA-N
MW182.17 g/mol
LogP0.89
Rot. Bonds2

About ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate

ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate (PubChem CID 6391163) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
PubChem CID6391163
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Nameethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate
SMILESCCOC(=O)/C(O)=C1/CC=CC1=O
InChIInChI=1S/C9H10O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h3,5,11H,2,4H2,1H3/b8-6+
InChIKeyHKUDFFLYGMMKKQ-SOFGYWHQSA-N
XLogP0.89
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.89
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

2(5H)-Furanone, 3-hydroxy-4-(4-methyl-1-oxo-2-pentenyl)-, compd. with lysine (1:1)
CID 6446911
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ethyl (Z)-4-cyclopropyl-2-hydroxy-4-oxobut-2-enoate
CID 87278615
Hkudfflygmmkkq-vurmdhgxsa-
CID 5356390
(Z)-ethyl 2-hydroxy-5-methyl-4-oxohex-2-enoate
CID 7063793
(Z)-ethyl 2-hydroxy-4-oxohex-2-enoate
CID 12123388
ethyl (2Z)-2-hydroxy-2-(2-oxocyclopentylidene)acetate
CID 71474213
ethyl (2Z,7Z)-2,9-dihydroxy-4-oxonona-2,7-dienoate
CID 15423144
ethyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)butanoate
CID 100986185
(2S)-4-but-2-enyl-3-hydroxy-2-methyl-2H-furan-5-one
CID 134855300
3-Hydroxy-4-(3-methylbut-2-enoyl)furan-2(5H)-one
CID 330474
4-Hydroxy-3-(3-methylbut-2-en-1-yl)furan-2(5H)-one
CID 54714460

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate (CID 6391163) is ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate is CCOC(=O)/C(O)=C1/CC=CC1=O.
What is the InChIKey of ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
The InChIKey is HKUDFFLYGMMKKQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9(12)8(11)6-4-3-5-7(6)10/h3,5,11H,2,4H2,1H3/b8-6+.
What are the key properties of ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate?
ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate has a molecular weight of 182.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-hydroxy-2-(2-oxocyclopent-3-en-1-ylidene)acetate is sourced from PubChem (CID 6391163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).