ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate

C13H20O4 — CID 70850765

IUPACethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)/C(C)=C1/CCC(C(=O)OCC)C1
InChIInChI=1S/C13H20O4/c1-4-16-12(14)9(3)10-6-7-11(8-10)13(15)17-5-2/h11H,4-8H2,1-3H3/b10-9-
InChIKeyFLCTXNAKJRLQRF-KTKRTIGZSA-N
MW240.30 g/mol
LogP2.23
Rot. Bonds4

About ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate

ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate (PubChem CID 70850765) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
PubChem CID70850765
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Nameethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate
SMILESCCOC(=O)/C(C)=C1/CCC(C(=O)OCC)C1
InChIInChI=1S/C13H20O4/c1-4-16-12(14)9(3)10-6-7-11(8-10)13(15)17-5-2/h11H,4-8H2,1-3H3/b10-9-
InChIKeyFLCTXNAKJRLQRF-KTKRTIGZSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2Z)-2-(3-ethoxycarbonylcyclopentylidene)acetic acid
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ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
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ethyl 3-(oxomethylidene)cyclohexane-1-carboxylate
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CID 129009642
ethyl 4-propylidenecyclohexane-1-carboxylate
CID 123984954
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
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ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate?
The IUPAC name of ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate (CID 70850765) is ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate is CCOC(=O)/C(C)=C1/CCC(C(=O)OCC)C1.
What is the InChIKey of ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate?
The InChIKey is FLCTXNAKJRLQRF-KTKRTIGZSA-N. The full InChI is InChI=1S/C13H20O4/c1-4-16-12(14)9(3)10-6-7-11(8-10)13(15)17-5-2/h11H,4-8H2,1-3H3/b10-9-.
What are the key properties of ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate?
ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-(1-ethoxy-1-oxopropan-2-ylidene)cyclopentane-1-carboxylate is sourced from PubChem (CID 70850765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).