ethyl 3-(cyclopenten-1-yl)prop-2-ynoate

C10H12O2 — CID 102325118

IUPACethyl 3-(cyclopenten-1-yl)prop-2-ynoate
SMILESCCOC(=O)C#CC1=CCCC1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h5H,2-4,6H2,1H3
InChIKeyPQSCMIZKTOJPIK-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.66
Rot. Bonds1

About ethyl 3-(cyclopenten-1-yl)prop-2-ynoate

ethyl 3-(cyclopenten-1-yl)prop-2-ynoate (PubChem CID 102325118) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is ethyl 3-(cyclopenten-1-yl)prop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-(cyclopenten-1-yl)prop-2-ynoate
PubChem CID102325118
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Nameethyl 3-(cyclopenten-1-yl)prop-2-ynoate
SMILESCCOC(=O)C#CC1=CCCC1
InChIInChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h5H,2-4,6H2,1H3
InChIKeyPQSCMIZKTOJPIK-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(cyclopenten-1-yl)-1-methoxyprop-2-ynylidene]chromium
CID 10914366
ethyl 3-(2,3-dihydro-1H-inden-5-yl)prop-2-ynoate
CID 176935237
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 3-(4-aminophenyl)prop-2-ynoate
CID 20525747
propan-2-yl 4-(cyclohexen-1-yl)-2-oxobut-3-ynoate
CID 11310564
ethyl (2Z)-4-(cyclohexen-1-yl)-2-[[dimethyl(phenyl)silyl]methylidene]but-3-ynoate
CID 11151926
N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
CID 50917910
carbon monoxide;[3-(cyclopenten-1-yl)-1-methoxyprop-2-ynylidene]chromium
CID 10914365
ethyl 3-(5-methylpyrazin-2-yl)prop-2-ynoate
CID 165462707
ethyl 3-[4-[cyclobutyl(methyl)amino]phenyl]prop-2-ynoate
CID 70525128
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopenten-1-yl)prop-2-ynoate?
The IUPAC name of ethyl 3-(cyclopenten-1-yl)prop-2-ynoate (CID 102325118) is ethyl 3-(cyclopenten-1-yl)prop-2-ynoate.
What is the SMILES notation for ethyl 3-(cyclopenten-1-yl)prop-2-ynoate?
The canonical SMILES for ethyl 3-(cyclopenten-1-yl)prop-2-ynoate is CCOC(=O)C#CC1=CCCC1.
What is the InChIKey of ethyl 3-(cyclopenten-1-yl)prop-2-ynoate?
The InChIKey is PQSCMIZKTOJPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h5H,2-4,6H2,1H3.
What are the key properties of ethyl 3-(cyclopenten-1-yl)prop-2-ynoate?
ethyl 3-(cyclopenten-1-yl)prop-2-ynoate has a molecular weight of 164.20 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopenten-1-yl)prop-2-ynoate is sourced from PubChem (CID 102325118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).