3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene

C14H12 — CID 13417814

IUPAC3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
SMILESC(=CC1=CC=CC1)=Cc1ccccc1
InChIInChI=1S/C14H12/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-5,7-9,11-12H,10H2
InChIKeyXQVWOPQKMWFWJW-UHFFFAOYSA-N
MW180.25 g/mol
LogP3.74
Rot. Bonds2

About 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene

3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene (PubChem CID 13417814) has the molecular formula C14H12 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
PubChem CID13417814
Molecular FormulaC14H12
Molecular Weight180.25 g/mol
Exact Mass180.09
IUPAC Name3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene
SMILESC(=CC1=CC=CC1)=Cc1ccccc1
InChIInChI=1S/C14H12/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-5,7-9,11-12H,10H2
InChIKeyXQVWOPQKMWFWJW-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene (CID 13417814) is 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene is C(=CC1=CC=CC1)=Cc1ccccc1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene?
The InChIKey is XQVWOPQKMWFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12/c1-2-7-13(8-3-1)11-6-12-14-9-4-5-10-14/h1-5,7-9,11-12H,10H2.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene?
3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene has a molecular weight of 180.25 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylpropa-1,2-dienylbenzene is sourced from PubChem (CID 13417814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).