prop-2-ynyl 2-cyclobutylideneacetate

C9H10O2 — CID 130611902

IUPACprop-2-ynyl 2-cyclobutylideneacetate
SMILESC#CCOC(=O)C=C1CCC1
InChIInChI=1S/C9H10O2/c1-2-6-11-9(10)7-8-4-3-5-8/h1,7H,3-6H2
InChIKeyUXZYBYGRZQMBPL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.27
Rot. Bonds2

About prop-2-ynyl 2-cyclobutylideneacetate

prop-2-ynyl 2-cyclobutylideneacetate (PubChem CID 130611902) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is prop-2-ynyl 2-cyclobutylideneacetate.

Molecular Properties

Compound Nameprop-2-ynyl 2-cyclobutylideneacetate
PubChem CID130611902
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Nameprop-2-ynyl 2-cyclobutylideneacetate
SMILESC#CCOC(=O)C=C1CCC1
InChIInChI=1S/C9H10O2/c1-2-6-11-9(10)7-8-4-3-5-8/h1,7H,3-6H2
InChIKeyUXZYBYGRZQMBPL-UHFFFAOYSA-N
XLogP1.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl 2-cyclobutylideneacetate?
The IUPAC name of prop-2-ynyl 2-cyclobutylideneacetate (CID 130611902) is prop-2-ynyl 2-cyclobutylideneacetate.
What is the SMILES notation for prop-2-ynyl 2-cyclobutylideneacetate?
The canonical SMILES for prop-2-ynyl 2-cyclobutylideneacetate is C#CCOC(=O)C=C1CCC1.
What is the InChIKey of prop-2-ynyl 2-cyclobutylideneacetate?
The InChIKey is UXZYBYGRZQMBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-6-11-9(10)7-8-4-3-5-8/h1,7H,3-6H2.
What are the key properties of prop-2-ynyl 2-cyclobutylideneacetate?
prop-2-ynyl 2-cyclobutylideneacetate has a molecular weight of 150.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl 2-cyclobutylideneacetate is sourced from PubChem (CID 130611902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).