cyclohex-2-en-1-yl prop-2-ynoate

C9H10O2 — CID 14249454

IUPACcyclohex-2-en-1-yl prop-2-ynoate
SMILESC#CC(=O)OC1C=CCCC1
InChIInChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,4,6,8H,3,5,7H2
InChIKeyAZXMRFVZSIBHEQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.27
Rot. Bonds1

About cyclohex-2-en-1-yl prop-2-ynoate

cyclohex-2-en-1-yl prop-2-ynoate (PubChem CID 14249454) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is cyclohex-2-en-1-yl prop-2-ynoate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl prop-2-ynoate
PubChem CID14249454
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Namecyclohex-2-en-1-yl prop-2-ynoate
SMILESC#CC(=O)OC1C=CCCC1
InChIInChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,4,6,8H,3,5,7H2
InChIKeyAZXMRFVZSIBHEQ-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-yl prop-2-ynoate?
The IUPAC name of cyclohex-2-en-1-yl prop-2-ynoate (CID 14249454) is cyclohex-2-en-1-yl prop-2-ynoate.
What is the SMILES notation for cyclohex-2-en-1-yl prop-2-ynoate?
The canonical SMILES for cyclohex-2-en-1-yl prop-2-ynoate is C#CC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl prop-2-ynoate?
The InChIKey is AZXMRFVZSIBHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h1,4,6,8H,3,5,7H2.
What are the key properties of cyclohex-2-en-1-yl prop-2-ynoate?
cyclohex-2-en-1-yl prop-2-ynoate has a molecular weight of 150.18 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl prop-2-ynoate is sourced from PubChem (CID 14249454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).