cyclopenta-1,3-diene

C15H18 — CID 159248657

IUPACcyclopenta-1,3-diene
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1
InChIInChI=1S/3C5H6/c3*1-2-4-5-3-1/h3*1-4H,5H2
InChIKeyKUZSQUMLOPXIHS-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.51
Rot. Bonds

About cyclopenta-1,3-diene

cyclopenta-1,3-diene (PubChem CID 159248657) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene
PubChem CID159248657
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Namecyclopenta-1,3-diene
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1
InChIInChI=1S/3C5H6/c3*1-2-4-5-3-1/h3*1-4H,5H2
InChIKeyKUZSQUMLOPXIHS-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopenta-1,3-diene;osmium
CID 161133624
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793
chromium;cyclopenta-1,3-diene
CID 158699246
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463
cyclopenta-1,3-diene;hafnium;dichloride
CID 174329736
cyclotetradeca-1,3,6,9,12-pentaene
CID 90993440
bis(cyclopenta-1,3-diene);samarium
CID 12780607

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene (CID 159248657) 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.C1=CCC=C1.C1=CCC=C1.
What is the InChIKey of cyclopenta-1,3-diene?
The InChIKey is KUZSQUMLOPXIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6/c3*1-2-4-5-3-1/h3*1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene?
cyclopenta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.51, 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 159248657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).