cyclopenta-1,3-diene

C5H6 — CID 7612

IUPACcyclopenta-1,3-diene
SMILESC1=CCC=C1
InChIInChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
InChIKeyZSWFCLXCOIISFI-UHFFFAOYSA-N
MW66.10 g/mol
LogP1.50
Rot. Bonds

About cyclopenta-1,3-diene

cyclopenta-1,3-diene (PubChem CID 7612) has the molecular formula C5H6 and a molecular weight of 66.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene
PubChem CID7612
Molecular FormulaC5H6
Molecular Weight66.10 g/mol
Exact Mass66.05
IUPAC Namecyclopenta-1,3-diene
SMILESC1=CCC=C1
InChIInChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
InChIKeyZSWFCLXCOIISFI-UHFFFAOYSA-N
XLogP1.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.10
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclopentadienylthallium
CID 97304
1,3-Hexadiene
CID 39175
Cycloheptatriene
CID 11000
2,4-Heptadiene
CID 5367544
Hexadiene
CID 11602
Fulvene
CID 136323
1,3,6-Heptatriene
CID 5367381
Lithium cyclopenta-1,3-dien-1-ide
CID 14063469
1,3-Cyclopentadiene, 5-ethenylidene-
CID 141330
1,3-Hexadiene, (Z)-
CID 5462879
Cyclopentadienylium
CID 11966287
2-Chloro-1,3-cyclopentadiene
CID 12542317

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene (CID 7612) is cyclopenta-1,3-diene.
What is the SMILES notation for cyclopenta-1,3-diene?
The canonical SMILES for cyclopenta-1,3-diene is C1=CCC=C1.
What is the InChIKey of cyclopenta-1,3-diene?
The InChIKey is ZSWFCLXCOIISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene?
cyclopenta-1,3-diene has a molecular weight of 66.10 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene is sourced from PubChem (CID 7612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).