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

C8H9N — CID 57316999

IUPAC3a,7a-dihydro-3H-indole
SMILESC1=CC2CC=NC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6-8H,5H2
InChIKeyAAECWDCYWMABEV-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.57
Rot. Bonds

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

3a,7a-dihydro-3H-indole (PubChem CID 57316999) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3a,7a-dihydro-3H-indole.

Molecular Properties

Compound Name3a,7a-dihydro-3H-indole
PubChem CID57316999
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3a,7a-dihydro-3H-indole
SMILESC1=CC2CC=NC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6-8H,5H2
InChIKeyAAECWDCYWMABEV-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3a,7a-dihydro-3H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-fluoro-3a,7a-dihydro-3H-indole
CID 91299299
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaene
CID 18187422
(4aS,8aS)-3,4,4a,8a-tetrahydroquinoline
CID 53824787
5a,9a-dihydro-3H-1-benzazepine
CID 53875240
3a,4-dihydro-1H-isoindole
CID 54009157
3,4,4a,8a-Tetrahydroquinoline
CID 54092524
2-Cyclopropyl-2,5-dihydropyridine
CID 54163106
4,5,5a,9a-tetrahydro-3H-1-benzazepine
CID 54378898
(8aS)-3,4,4a,8a-tetrahydroquinoline
CID 56628707
4,4a,4b,8a-tetrahydro-1H-pyrido[3,4-b]indole
CID 57046091
(8aR)-3,4,4a,8a-tetrahydroquinoline
CID 57135717
3a,6-dihydro-1H-isoindole
CID 57205268

Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-3H-indole?
The IUPAC name of 3a,7a-dihydro-3H-indole (CID 57316999) is 3a,7a-dihydro-3H-indole.
What is the SMILES notation for 3a,7a-dihydro-3H-indole?
The canonical SMILES for 3a,7a-dihydro-3H-indole is C1=CC2CC=NC2C=C1.
What is the InChIKey of 3a,7a-dihydro-3H-indole?
The InChIKey is AAECWDCYWMABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,6-8H,5H2.
What are the key properties of 3a,7a-dihydro-3H-indole?
3a,7a-dihydro-3H-indole has a molecular weight of 119.17 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-3H-indole is sourced from PubChem (CID 57316999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).