1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene

C12H14 — CID 11400927

IUPAC1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene
SMILESC(#CC1=CCCC1)C1=CCCC1
InChIInChI=1S/C12H14/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h5,7H,1-4,6,8H2
InChIKeyPPDLDVRVHXABDB-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.21
Rot. Bonds

About 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene

1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene (PubChem CID 11400927) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene
PubChem CID11400927
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene
SMILESC(#CC1=CCCC1)C1=CCCC1
InChIInChI=1S/C12H14/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h5,7H,1-4,6,8H2
InChIKeyPPDLDVRVHXABDB-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.21
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 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene (CID 11400927) is 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene is C(#CC1=CCCC1)C1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene?
The InChIKey is PPDLDVRVHXABDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-2-6-11(5-1)9-10-12-7-3-4-8-12/h5,7H,1-4,6,8H2.
What are the key properties of 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene?
1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene has a molecular weight of 158.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethynyl]cyclopentene is sourced from PubChem (CID 11400927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).