5-methylcyclopenta-1,3-diene

C6H7+ — CID 101149130

IUPAC5-methylcyclopenta-1,3-diene
SMILES[CH2+]C1C=CC=C1
InChIInChI=1S/C6H7/c1-6-4-2-3-5-6/h2-6H,1H2/q+1
InChIKeyRXCUFLHJXHZEBX-UHFFFAOYSA-N
MW79.12 g/mol
LogP1.56
Rot. Bonds

About 5-methylcyclopenta-1,3-diene

5-methylcyclopenta-1,3-diene (PubChem CID 101149130) has the molecular formula C6H7+ and a molecular weight of 79.12 g/mol. Its IUPAC name is 5-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-methylcyclopenta-1,3-diene
PubChem CID101149130
Molecular FormulaC6H7+
Molecular Weight79.12 g/mol
Exact Mass79.05
IUPAC Name5-methylcyclopenta-1,3-diene
SMILES[CH2+]C1C=CC=C1
InChIInChI=1S/C6H7/c1-6-4-2-3-5-6/h2-6H,1H2/q+1
InChIKeyRXCUFLHJXHZEBX-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.12
LogP ≤ 51.56
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 5-methylcyclopenta-1,3-diene?
The IUPAC name of 5-methylcyclopenta-1,3-diene (CID 101149130) is 5-methylcyclopenta-1,3-diene.
What is the SMILES notation for 5-methylcyclopenta-1,3-diene?
The canonical SMILES for 5-methylcyclopenta-1,3-diene is [CH2+]C1C=CC=C1.
What is the InChIKey of 5-methylcyclopenta-1,3-diene?
The InChIKey is RXCUFLHJXHZEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7/c1-6-4-2-3-5-6/h2-6H,1H2/q+1.
What are the key properties of 5-methylcyclopenta-1,3-diene?
5-methylcyclopenta-1,3-diene has a molecular weight of 79.12 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopenta-1,3-diene is sourced from PubChem (CID 101149130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).