1-ethenylcyclohepta-1,3,5-triene

C9H10 — CID 15567394

IUPAC1-ethenylcyclohepta-1,3,5-triene
SMILESC=CC1=CC=CC=CC1
InChIInChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-7H,1,8H2
InChIKeyRVINYTOBOYNOBN-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.61
Rot. Bonds1

About 1-ethenylcyclohepta-1,3,5-triene

1-ethenylcyclohepta-1,3,5-triene (PubChem CID 15567394) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 1-ethenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-ethenylcyclohepta-1,3,5-triene
PubChem CID15567394
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name1-ethenylcyclohepta-1,3,5-triene
SMILESC=CC1=CC=CC=CC1
InChIInChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-7H,1,8H2
InChIKeyRVINYTOBOYNOBN-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylcyclohepta-1,3,5-triene?
The IUPAC name of 1-ethenylcyclohepta-1,3,5-triene (CID 15567394) is 1-ethenylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1-ethenylcyclohepta-1,3,5-triene?
The canonical SMILES for 1-ethenylcyclohepta-1,3,5-triene is C=CC1=CC=CC=CC1.
What is the InChIKey of 1-ethenylcyclohepta-1,3,5-triene?
The InChIKey is RVINYTOBOYNOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-9-7-5-3-4-6-8-9/h2-7H,1,8H2.
What are the key properties of 1-ethenylcyclohepta-1,3,5-triene?
1-ethenylcyclohepta-1,3,5-triene has a molecular weight of 118.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 15567394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).