cyclopent-1-en-3-yn-1-ylbenzene

C11H8 — CID 158131975

IUPACcyclopent-1-en-3-yn-1-ylbenzene
SMILESC1#CCC(c2ccccc2)=C1
InChIInChI=1S/C11H8/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,9H2
InChIKeyFJLDZAUXWQRYMU-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.48
Rot. Bonds1

About cyclopent-1-en-3-yn-1-ylbenzene

cyclopent-1-en-3-yn-1-ylbenzene (PubChem CID 158131975) has the molecular formula C11H8 and a molecular weight of 140.18 g/mol. Its IUPAC name is cyclopent-1-en-3-yn-1-ylbenzene.

Molecular Properties

Compound Namecyclopent-1-en-3-yn-1-ylbenzene
PubChem CID158131975
Molecular FormulaC11H8
Molecular Weight140.18 g/mol
Exact Mass140.06
IUPAC Namecyclopent-1-en-3-yn-1-ylbenzene
SMILESC1#CCC(c2ccccc2)=C1
InChIInChI=1S/C11H8/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,9H2
InChIKeyFJLDZAUXWQRYMU-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 cyclopent-1-en-3-yn-1-ylbenzene?
The IUPAC name of cyclopent-1-en-3-yn-1-ylbenzene (CID 158131975) is cyclopent-1-en-3-yn-1-ylbenzene.
What is the SMILES notation for cyclopent-1-en-3-yn-1-ylbenzene?
The canonical SMILES for cyclopent-1-en-3-yn-1-ylbenzene is C1#CCC(c2ccccc2)=C1.
What is the InChIKey of cyclopent-1-en-3-yn-1-ylbenzene?
The InChIKey is FJLDZAUXWQRYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,9H2.
What are the key properties of cyclopent-1-en-3-yn-1-ylbenzene?
cyclopent-1-en-3-yn-1-ylbenzene has a molecular weight of 140.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-1-en-3-yn-1-ylbenzene is sourced from PubChem (CID 158131975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).