3-ethyl-3aH-indole

C10H11N — CID 126640835

IUPAC3-ethyl-3aH-indole
SMILESCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,9H,2H2,1H3
InChIKeyBFUKYRSIJDGKAY-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.48
Rot. Bonds1

About 3-ethyl-3aH-indole

3-ethyl-3aH-indole (PubChem CID 126640835) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-ethyl-3aH-indole.

Molecular Properties

Compound Name3-ethyl-3aH-indole
PubChem CID126640835
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-ethyl-3aH-indole
SMILESCCC1=CN=C2C=CC=CC12
InChIInChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,9H,2H2,1H3
InChIKeyBFUKYRSIJDGKAY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3aH-indole?
The IUPAC name of 3-ethyl-3aH-indole (CID 126640835) is 3-ethyl-3aH-indole.
What is the SMILES notation for 3-ethyl-3aH-indole?
The canonical SMILES for 3-ethyl-3aH-indole is CCC1=CN=C2C=CC=CC12.
What is the InChIKey of 3-ethyl-3aH-indole?
The InChIKey is BFUKYRSIJDGKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-7,9H,2H2,1H3.
What are the key properties of 3-ethyl-3aH-indole?
3-ethyl-3aH-indole has a molecular weight of 145.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3aH-indole is sourced from PubChem (CID 126640835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).