1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene

C17H12 — CID 15498615

IUPAC1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
SMILESC(#CC1C=CC=C1)c1cccc2ccccc12
InChIInChI=1S/C17H12/c1-2-7-14(6-1)12-13-16-10-5-9-15-8-3-4-11-17(15)16/h1-11,14H
InChIKeyYSXFZJODGLOJCO-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.93
Rot. Bonds

About 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene

1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene (PubChem CID 15498615) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene.

Molecular Properties

Compound Name1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
PubChem CID15498615
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Name1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
SMILESC(#CC1C=CC=C1)c1cccc2ccccc12
InChIInChI=1S/C17H12/c1-2-7-14(6-1)12-13-16-10-5-9-15-8-3-4-11-17(15)16/h1-11,14H
InChIKeyYSXFZJODGLOJCO-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.93
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-cyclopenta-2,4-dien-1-ylethynyl)naphthalene?
The IUPAC name of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene (CID 15498615) is 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene.
What is the SMILES notation for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene?
The canonical SMILES for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene is C(#CC1C=CC=C1)c1cccc2ccccc12.
What is the InChIKey of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene?
The InChIKey is YSXFZJODGLOJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12/c1-2-7-14(6-1)12-13-16-10-5-9-15-8-3-4-11-17(15)16/h1-11,14H.
What are the key properties of 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene?
1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene has a molecular weight of 216.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene is sourced from PubChem (CID 15498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).