cyclopenta-1,3-diene

C5H5+ — CID 11966287

IUPACcyclopenta-1,3-diene
SMILESC1=C[CH+]C=C1
InChIInChI=1S/C5H5/c1-2-4-5-3-1/h1-5H/q+1
InChIKeyVOYNOJWTOMQQAS-UHFFFAOYSA-N
MW65.09 g/mol
LogP1.32
Rot. Bonds

About cyclopenta-1,3-diene

cyclopenta-1,3-diene (PubChem CID 11966287) has the molecular formula C5H5+ and a molecular weight of 65.09 g/mol. Its IUPAC name is cyclopenta-1,3-diene.

Molecular Properties

Compound Namecyclopenta-1,3-diene
PubChem CID11966287
Molecular FormulaC5H5+
Molecular Weight65.09 g/mol
Exact Mass65.04
IUPAC Namecyclopenta-1,3-diene
SMILESC1=C[CH+]C=C1
InChIInChI=1S/C5H5/c1-2-4-5-3-1/h1-5H/q+1
InChIKeyVOYNOJWTOMQQAS-UHFFFAOYSA-N
XLogP1.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.09
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene?
The IUPAC name of cyclopenta-1,3-diene (CID 11966287) 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=C[CH+]C=C1.
What is the InChIKey of cyclopenta-1,3-diene?
The InChIKey is VOYNOJWTOMQQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5/c1-2-4-5-3-1/h1-5H/q+1.
What are the key properties of cyclopenta-1,3-diene?
cyclopenta-1,3-diene has a molecular weight of 65.09 g/mol, XLogP of 1.32, 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 11966287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).