1-ethylcyclopenta-1,3-diene

C7H10 — CID 528166

IUPAC1-ethylcyclopenta-1,3-diene
SMILESCCC1=CC=CC1
InChIInChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyIQSUNBLELDRPEY-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.28
Rot. Bonds1

About 1-ethylcyclopenta-1,3-diene

1-ethylcyclopenta-1,3-diene (PubChem CID 528166) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 1-ethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-ethylcyclopenta-1,3-diene
PubChem CID528166
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name1-ethylcyclopenta-1,3-diene
SMILESCCC1=CC=CC1
InChIInChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-5H,2,6H2,1H3
InChIKeyIQSUNBLELDRPEY-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopenta-1,3-diene?
The IUPAC name of 1-ethylcyclopenta-1,3-diene (CID 528166) is 1-ethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-ethylcyclopenta-1,3-diene?
The canonical SMILES for 1-ethylcyclopenta-1,3-diene is CCC1=CC=CC1.
What is the InChIKey of 1-ethylcyclopenta-1,3-diene?
The InChIKey is IQSUNBLELDRPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-2-7-5-3-4-6-7/h3-5H,2,6H2,1H3.
What are the key properties of 1-ethylcyclopenta-1,3-diene?
1-ethylcyclopenta-1,3-diene has a molecular weight of 94.16 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopenta-1,3-diene is sourced from PubChem (CID 528166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).