1-pent-4-ynylcyclopentene

C10H14 — CID 13351999

IUPAC1-pent-4-ynylcyclopentene
SMILESC#CCCCC1=CCCC1
InChIInChI=1S/C10H14/c1-2-3-4-7-10-8-5-6-9-10/h1,8H,3-7,9H2
InChIKeyATTXRBRVTNBPIS-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.90
Rot. Bonds3

About 1-pent-4-ynylcyclopentene

1-pent-4-ynylcyclopentene (PubChem CID 13351999) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-pent-4-ynylcyclopentene.

Molecular Properties

Compound Name1-pent-4-ynylcyclopentene
PubChem CID13351999
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-pent-4-ynylcyclopentene
SMILESC#CCCCC1=CCCC1
InChIInChI=1S/C10H14/c1-2-3-4-7-10-8-5-6-9-10/h1,8H,3-7,9H2
InChIKeyATTXRBRVTNBPIS-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-pent-4-ynylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Ethynylcyclohexene
CID 79128
1-Ethynylcyclopentene
CID 287350
Cyclopentene, 1,1'-(1,2-ethynediyl)bis-
CID 11400927
1-Ethynylcycloheptene
CID 13539607
1-(1-Fluoroprop-2-ynyl)cyclopentene
CID 91069440
1-(1-Fluoroprop-2-ynyl)cyclohexene
CID 91359054
5-Fluoro-1-prop-2-ynylcyclohexene
CID 167287535
1-(3-Fluoroprop-2-ynyl)cyclopentene
CID 173104777
1,3-Cyclopentadiene, 1-(3-butynyl)
CID 556572
1-Oct-1-ynylcyclopentene
CID 10910108
1,2-Diethynylcyclopent-1-ene
CID 11400748
(E)-7-methyltetradec-7-en-1,13-diyne
CID 12714334

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-ynylcyclopentene?
The IUPAC name of 1-pent-4-ynylcyclopentene (CID 13351999) is 1-pent-4-ynylcyclopentene.
What is the SMILES notation for 1-pent-4-ynylcyclopentene?
The canonical SMILES for 1-pent-4-ynylcyclopentene is C#CCCCC1=CCCC1.
What is the InChIKey of 1-pent-4-ynylcyclopentene?
The InChIKey is ATTXRBRVTNBPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-4-7-10-8-5-6-9-10/h1,8H,3-7,9H2.
What are the key properties of 1-pent-4-ynylcyclopentene?
1-pent-4-ynylcyclopentene has a molecular weight of 134.22 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-ynylcyclopentene is sourced from PubChem (CID 13351999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).