6-ethyl-1H-isoindole

C10H11N — CID 167577366

IUPAC6-ethyl-1H-isoindole
SMILESCCc1ccc2c(c1)CN=C2
InChIInChI=1S/C10H11N/c1-2-8-3-4-9-6-11-7-10(9)5-8/h3-6H,2,7H2,1H3
InChIKeyLJCJWTPKIYLRSM-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.18
Rot. Bonds1

About 6-ethyl-1H-isoindole

6-ethyl-1H-isoindole (PubChem CID 167577366) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 6-ethyl-1H-isoindole.

Molecular Properties

Compound Name6-ethyl-1H-isoindole
PubChem CID167577366
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name6-ethyl-1H-isoindole
SMILESCCc1ccc2c(c1)CN=C2
InChIInChI=1S/C10H11N/c1-2-8-3-4-9-6-11-7-10(9)5-8/h3-6H,2,7H2,1H3
InChIKeyLJCJWTPKIYLRSM-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1H-isoindole?
The IUPAC name of 6-ethyl-1H-isoindole (CID 167577366) is 6-ethyl-1H-isoindole.
What is the SMILES notation for 6-ethyl-1H-isoindole?
The canonical SMILES for 6-ethyl-1H-isoindole is CCc1ccc2c(c1)CN=C2.
What is the InChIKey of 6-ethyl-1H-isoindole?
The InChIKey is LJCJWTPKIYLRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-3-4-9-6-11-7-10(9)5-8/h3-6H,2,7H2,1H3.
What are the key properties of 6-ethyl-1H-isoindole?
6-ethyl-1H-isoindole has a molecular weight of 145.20 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-isoindole is sourced from PubChem (CID 167577366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).