ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate

C12H14O2 — CID 134889947

IUPACethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate
SMILESC#C/C=C\C1=C(C(=O)OCC)CCC1
InChIInChI=1S/C12H14O2/c1-3-5-7-10-8-6-9-11(10)12(13)14-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5-
InChIKeyUOYLOMZRXNDJSX-ALCCZGGFSA-N
MW190.24 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate

ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate (PubChem CID 134889947) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate
PubChem CID134889947
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate
SMILESC#C/C=C\C1=C(C(=O)OCC)CCC1
InChIInChI=1S/C12H14O2/c1-3-5-7-10-8-6-9-11(10)12(13)14-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5-
InChIKeyUOYLOMZRXNDJSX-ALCCZGGFSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate (CID 134889947) is ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate is C#C/C=C\C1=C(C(=O)OCC)CCC1.
What is the InChIKey of ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate?
The InChIKey is UOYLOMZRXNDJSX-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-5-7-10-8-6-9-11(10)12(13)14-4-2/h1,5,7H,4,6,8-9H2,2H3/b7-5-.
What are the key properties of ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate?
ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate has a molecular weight of 190.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(Z)-but-1-en-3-ynyl]cyclopentene-1-carboxylate is sourced from PubChem (CID 134889947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).