3-ethyl-5,6-dihydro-4H-indole

C10H13N — CID 10351840

IUPAC3-ethyl-5,6-dihydro-4H-indole
SMILESCCC1=C2CCCC=C2N=C1
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h6-7H,2-5H2,1H3
InChIKeyQQTQOXLTGUZUKC-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.85
Rot. Bonds1

About 3-ethyl-5,6-dihydro-4H-indole

3-ethyl-5,6-dihydro-4H-indole (PubChem CID 10351840) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-4H-indole.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-4H-indole
PubChem CID10351840
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethyl-5,6-dihydro-4H-indole
SMILESCCC1=C2CCCC=C2N=C1
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h6-7H,2-5H2,1H3
InChIKeyQQTQOXLTGUZUKC-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-4H-indole?
The IUPAC name of 3-ethyl-5,6-dihydro-4H-indole (CID 10351840) is 3-ethyl-5,6-dihydro-4H-indole.
What is the SMILES notation for 3-ethyl-5,6-dihydro-4H-indole?
The canonical SMILES for 3-ethyl-5,6-dihydro-4H-indole is CCC1=C2CCCC=C2N=C1.
What is the InChIKey of 3-ethyl-5,6-dihydro-4H-indole?
The InChIKey is QQTQOXLTGUZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethyl-5,6-dihydro-4H-indole?
3-ethyl-5,6-dihydro-4H-indole has a molecular weight of 147.22 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-4H-indole is sourced from PubChem (CID 10351840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).