ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate

C9H12O2 — CID 100915325

IUPACethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
SMILESCCOC(=O)/C=C1\C=CCC1
InChIInChI=1S/C9H12O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+
InChIKeyMEEOAEBEKWMFNP-BQYQJAHWSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds2

About ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate

ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate (PubChem CID 100915325) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
PubChem CID100915325
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Nameethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
SMILESCCOC(=O)/C=C1\C=CCC1
InChIInChI=1S/C9H12O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+
InChIKeyMEEOAEBEKWMFNP-BQYQJAHWSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
CID 11513807
ethyl (2E)-2-(4,4-dimethylcyclohex-2-en-1-ylidene)acetate
CID 23000922
ethyl (2E)-2-[(4S)-4-hydroxycyclopent-2-en-1-ylidene]acetate
CID 177404190
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[3-(dimethylamino)cyclohex-2-en-1-ylidene]acetate
CID 83854803
ethyl (2E)-2-[3,5-bis(trimethylsilyl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 11186348
diethyl (7E)-7-(2-ethoxy-2-oxoethylidene)-1,3,5,6-tetrahydroazulene-2,2-dicarboxylate
CID 102276324
ethyl 2-thiopyran-4-ylideneacetate
CID 141025564
ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
CID 73188801
ethyl (2E)-2-[3,5-di(cyclohexen-1-yl)cyclohepta-2,4-dien-1-ylidene]acetate
CID 42639984

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate?
The IUPAC name of ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate (CID 100915325) is ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate.
What is the SMILES notation for ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate?
The canonical SMILES for ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate is CCOC(=O)/C=C1\C=CCC1.
What is the InChIKey of ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate?
The InChIKey is MEEOAEBEKWMFNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-11-9(10)7-8-5-3-4-6-8/h3,5,7H,2,4,6H2,1H3/b8-7+.
What are the key properties of ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate?
ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate has a molecular weight of 152.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate is sourced from PubChem (CID 100915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).