2-ethylcyclopenta-1,3-diene

C7H9- — CID 4607244

IUPAC2-ethylcyclopenta-1,3-diene
SMILESCCc1cc[cH-]c1
InChIInChI=1S/C7H9/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3/q-1
InChIKeyDYIPSYFMBOEWDW-UHFFFAOYSA-N
MW93.15 g/mol
LogP1.97
Rot. Bonds1

About 2-ethylcyclopenta-1,3-diene

2-ethylcyclopenta-1,3-diene (PubChem CID 4607244) has the molecular formula C7H9- and a molecular weight of 93.15 g/mol. Its IUPAC name is 2-ethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-ethylcyclopenta-1,3-diene
PubChem CID4607244
Molecular FormulaC7H9-
Molecular Weight93.15 g/mol
Exact Mass93.07
IUPAC Name2-ethylcyclopenta-1,3-diene
SMILESCCc1cc[cH-]c1
InChIInChI=1S/C7H9/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3/q-1
InChIKeyDYIPSYFMBOEWDW-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 51.97
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 2-ethylcyclopenta-1,3-diene?
The IUPAC name of 2-ethylcyclopenta-1,3-diene (CID 4607244) is 2-ethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-ethylcyclopenta-1,3-diene?
The canonical SMILES for 2-ethylcyclopenta-1,3-diene is CCc1cc[cH-]c1.
What is the InChIKey of 2-ethylcyclopenta-1,3-diene?
The InChIKey is DYIPSYFMBOEWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9/c1-2-7-5-3-4-6-7/h3-6H,2H2,1H3/q-1.
What are the key properties of 2-ethylcyclopenta-1,3-diene?
2-ethylcyclopenta-1,3-diene has a molecular weight of 93.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylcyclopenta-1,3-diene is sourced from PubChem (CID 4607244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).