3-cyclopentylideneprop-1-ynylbenzene

C14H14 — CID 15395760

IUPAC3-cyclopentylideneprop-1-ynylbenzene
SMILESC(#Cc1ccccc1)C=C1CCCC1
InChIInChI=1S/C14H14/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-3,7-8,12H,4-5,9-10H2
InChIKeyRTFDEPSJCLKYAN-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.54
Rot. Bonds

About 3-cyclopentylideneprop-1-ynylbenzene

3-cyclopentylideneprop-1-ynylbenzene (PubChem CID 15395760) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-cyclopentylideneprop-1-ynylbenzene.

Molecular Properties

Compound Name3-cyclopentylideneprop-1-ynylbenzene
PubChem CID15395760
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name3-cyclopentylideneprop-1-ynylbenzene
SMILESC(#Cc1ccccc1)C=C1CCCC1
InChIInChI=1S/C14H14/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-3,7-8,12H,4-5,9-10H2
InChIKeyRTFDEPSJCLKYAN-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.54
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 3-cyclopentylideneprop-1-ynylbenzene?
The IUPAC name of 3-cyclopentylideneprop-1-ynylbenzene (CID 15395760) is 3-cyclopentylideneprop-1-ynylbenzene.
What is the SMILES notation for 3-cyclopentylideneprop-1-ynylbenzene?
The canonical SMILES for 3-cyclopentylideneprop-1-ynylbenzene is C(#Cc1ccccc1)C=C1CCCC1.
What is the InChIKey of 3-cyclopentylideneprop-1-ynylbenzene?
The InChIKey is RTFDEPSJCLKYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-3,7-8,12H,4-5,9-10H2.
What are the key properties of 3-cyclopentylideneprop-1-ynylbenzene?
3-cyclopentylideneprop-1-ynylbenzene has a molecular weight of 182.27 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylideneprop-1-ynylbenzene is sourced from PubChem (CID 15395760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).