1-ethynylcyclopent-2-en-1-ol

C7H8O — CID 13184286

IUPAC1-ethynylcyclopent-2-en-1-ol
SMILESC#CC1(O)C=CCC1
InChIInChI=1S/C7H8O/c1-2-7(8)5-3-4-6-7/h1,3,5,8H,4,6H2
InChIKeyNABYGRUINSKQSX-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.70
Rot. Bonds

About 1-ethynylcyclopent-2-en-1-ol

1-ethynylcyclopent-2-en-1-ol (PubChem CID 13184286) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-ethynylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-ethynylcyclopent-2-en-1-ol
PubChem CID13184286
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name1-ethynylcyclopent-2-en-1-ol
SMILESC#CC1(O)C=CCC1
InChIInChI=1S/C7H8O/c1-2-7(8)5-3-4-6-7/h1,3,5,8H,4,6H2
InChIKeyNABYGRUINSKQSX-UHFFFAOYSA-N
XLogP0.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylcyclopent-2-en-1-ol?
The IUPAC name of 1-ethynylcyclopent-2-en-1-ol (CID 13184286) is 1-ethynylcyclopent-2-en-1-ol.
What is the SMILES notation for 1-ethynylcyclopent-2-en-1-ol?
The canonical SMILES for 1-ethynylcyclopent-2-en-1-ol is C#CC1(O)C=CCC1.
What is the InChIKey of 1-ethynylcyclopent-2-en-1-ol?
The InChIKey is NABYGRUINSKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-2-7(8)5-3-4-6-7/h1,3,5,8H,4,6H2.
What are the key properties of 1-ethynylcyclopent-2-en-1-ol?
1-ethynylcyclopent-2-en-1-ol has a molecular weight of 108.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclopent-2-en-1-ol is sourced from PubChem (CID 13184286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).