5-propa-1,2-dienylcyclopenta-1,3-diene

C8H8 — CID 15802793

IUPAC5-propa-1,2-dienylcyclopenta-1,3-diene
SMILESC=C=CC1C=CC=C1
InChIInChI=1S/C8H8/c1-2-5-8-6-3-4-7-8/h3-8H,1H2
InChIKeyYGHLXWHYJGYNRJ-UHFFFAOYSA-N
MW104.15 g/mol
LogP2.07
Rot. Bonds1

About 5-propa-1,2-dienylcyclopenta-1,3-diene

5-propa-1,2-dienylcyclopenta-1,3-diene (PubChem CID 15802793) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is 5-propa-1,2-dienylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-propa-1,2-dienylcyclopenta-1,3-diene
PubChem CID15802793
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Name5-propa-1,2-dienylcyclopenta-1,3-diene
SMILESC=C=CC1C=CC=C1
InChIInChI=1S/C8H8/c1-2-5-8-6-3-4-7-8/h3-8H,1H2
InChIKeyYGHLXWHYJGYNRJ-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-propa-1,2-dienylcyclopenta-1,3-diene?
The IUPAC name of 5-propa-1,2-dienylcyclopenta-1,3-diene (CID 15802793) is 5-propa-1,2-dienylcyclopenta-1,3-diene.
What is the SMILES notation for 5-propa-1,2-dienylcyclopenta-1,3-diene?
The canonical SMILES for 5-propa-1,2-dienylcyclopenta-1,3-diene is C=C=CC1C=CC=C1.
What is the InChIKey of 5-propa-1,2-dienylcyclopenta-1,3-diene?
The InChIKey is YGHLXWHYJGYNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8/c1-2-5-8-6-3-4-7-8/h3-8H,1H2.
What are the key properties of 5-propa-1,2-dienylcyclopenta-1,3-diene?
5-propa-1,2-dienylcyclopenta-1,3-diene has a molecular weight of 104.15 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propa-1,2-dienylcyclopenta-1,3-diene is sourced from PubChem (CID 15802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).