1-buta-1,2,3-trienyl-2-ethynylcyclopentene

C11H10 — CID 134977123

IUPAC1-buta-1,2,3-trienyl-2-ethynylcyclopentene
SMILESC#CC1=C(C=C=C=C)CCC1
InChIInChI=1S/C11H10/c1-3-5-7-11-9-6-8-10(11)4-2/h2,7H,1,6,8-9H2
InChIKeyJUTBWUUCBVVYJR-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.60
Rot. Bonds1

About 1-buta-1,2,3-trienyl-2-ethynylcyclopentene

1-buta-1,2,3-trienyl-2-ethynylcyclopentene (PubChem CID 134977123) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-buta-1,2,3-trienyl-2-ethynylcyclopentene.

Molecular Properties

Compound Name1-buta-1,2,3-trienyl-2-ethynylcyclopentene
PubChem CID134977123
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name1-buta-1,2,3-trienyl-2-ethynylcyclopentene
SMILESC#CC1=C(C=C=C=C)CCC1
InChIInChI=1S/C11H10/c1-3-5-7-11-9-6-8-10(11)4-2/h2,7H,1,6,8-9H2
InChIKeyJUTBWUUCBVVYJR-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Fluoroprop-2-ynyl)cyclopentene
CID 91069440
1,3-Cyclopentadiene, 1-(3-butynyl)
CID 556572
5-Hept-6-yn-2-ylidenecyclopenta-1,3-diene
CID 13624562
1-Hex-1-ynyl-2-(4-methylpenta-1,2,3-trienyl)cyclopentene
CID 10998721
1-(4-Methylpenta-1,2,3-trienyl)-2-oct-1-ynylcyclopentene
CID 11064998
1,2-Diethynylcyclopent-1-ene
CID 11400748
1-Pent-4-ynylcyclopentene
CID 13351999
1-[(Z)-but-1-en-3-ynyl]-2-hex-1-ynylcyclopentene
CID 134888030
(3Z,5E)-3,4,5-triethylocta-3,5-dien-1-yne
CID 134964122
1-(4-Methylpenta-1,2,3-trienyl)-2-prop-1-ynylcyclopentene
CID 134976433
1-Pent-4-ynylcyclohepta-1,3,5-triene
CID 139250201
1-Pent-3-ynylcyclopenta-1,3-diene
CID 556571

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,2,3-trienyl-2-ethynylcyclopentene?
The IUPAC name of 1-buta-1,2,3-trienyl-2-ethynylcyclopentene (CID 134977123) is 1-buta-1,2,3-trienyl-2-ethynylcyclopentene.
What is the SMILES notation for 1-buta-1,2,3-trienyl-2-ethynylcyclopentene?
The canonical SMILES for 1-buta-1,2,3-trienyl-2-ethynylcyclopentene is C#CC1=C(C=C=C=C)CCC1.
What is the InChIKey of 1-buta-1,2,3-trienyl-2-ethynylcyclopentene?
The InChIKey is JUTBWUUCBVVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-3-5-7-11-9-6-8-10(11)4-2/h2,7H,1,6,8-9H2.
What are the key properties of 1-buta-1,2,3-trienyl-2-ethynylcyclopentene?
1-buta-1,2,3-trienyl-2-ethynylcyclopentene has a molecular weight of 142.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,2,3-trienyl-2-ethynylcyclopentene is sourced from PubChem (CID 134977123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).