5-methylcyclopenta-1,3-diene

C6H7- — CID 11984645

IUPAC5-methylcyclopenta-1,3-diene
SMILESC[c-]1cccc1
InChIInChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3/q-1
InChIKeyZAKSCXKVYUNNHM-UHFFFAOYSA-N
MW79.12 g/mol
LogP1.71
Rot. Bonds

About 5-methylcyclopenta-1,3-diene

5-methylcyclopenta-1,3-diene (PubChem CID 11984645) 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 CID11984645
Molecular FormulaC6H7-
Molecular Weight79.12 g/mol
Exact Mass79.06
IUPAC Name5-methylcyclopenta-1,3-diene
SMILESC[c-]1cccc1
InChIInChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3/q-1
InChIKeyZAKSCXKVYUNNHM-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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 11984645) 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 C[c-]1cccc1.
What is the InChIKey of 5-methylcyclopenta-1,3-diene?
The InChIKey is ZAKSCXKVYUNNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3/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 1.71, 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 11984645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).