3-ethyl-3a,7a-dihydro-3H-indole

C10H13N — CID 90959910

IUPAC3-ethyl-3a,7a-dihydro-3H-indole
SMILESCCC1C=NC2C=CC=CC12
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-10H,2H2,1H3
InChIKeyJEBGYRJKMLASBC-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.21
Rot. Bonds1

About 3-ethyl-3a,7a-dihydro-3H-indole

3-ethyl-3a,7a-dihydro-3H-indole (PubChem CID 90959910) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-ethyl-3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name3-ethyl-3a,7a-dihydro-3H-indole
PubChem CID90959910
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-ethyl-3a,7a-dihydro-3H-indole
SMILESCCC1C=NC2C=CC=CC12
InChIInChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-10H,2H2,1H3
InChIKeyJEBGYRJKMLASBC-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azabicyclo[3.2.1]octa-2,6-diene
CID 12471325
3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
2,3,3-Trimethyl-3a,7a-dihydroindole
CID 17797756
2-Cyclopentyl-2,5-dihydropyridine
CID 53805936
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
4,5,5a,9a-tetrahydro-3H-2-benzazepine
CID 53961654
3a,4-dihydro-1H-isoindole
CID 54009157
8-Azatricyclo[10.4.0.02,7]hexadeca-3,5,8,11,13,15-hexaene
CID 54068551
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2,5,5a,9a-tetrahydro-1H-3-benzazepine
CID 54189236

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3a,7a-dihydro-3H-indole?
The IUPAC name of 3-ethyl-3a,7a-dihydro-3H-indole (CID 90959910) is 3-ethyl-3a,7a-dihydro-3H-indole.
What is the SMILES notation for 3-ethyl-3a,7a-dihydro-3H-indole?
The canonical SMILES for 3-ethyl-3a,7a-dihydro-3H-indole is CCC1C=NC2C=CC=CC12.
What is the InChIKey of 3-ethyl-3a,7a-dihydro-3H-indole?
The InChIKey is JEBGYRJKMLASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h3-10H,2H2,1H3.
What are the key properties of 3-ethyl-3a,7a-dihydro-3H-indole?
3-ethyl-3a,7a-dihydro-3H-indole has a molecular weight of 147.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3a,7a-dihydro-3H-indole is sourced from PubChem (CID 90959910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).