3a,7a-dihydro-1H-indole

C8H9N — CID 20577477

IUPAC3a,7a-dihydro-1H-indole
SMILESC1=CC2C=CNC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-9H
InChIKeyHXAOUQJUSHASIJ-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.21
Rot. Bonds

About 3a,7a-dihydro-1H-indole

3a,7a-dihydro-1H-indole (PubChem CID 20577477) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name3a,7a-dihydro-1H-indole
PubChem CID20577477
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name3a,7a-dihydro-1H-indole
SMILESC1=CC2C=CNC2C=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-9H
InChIKeyHXAOUQJUSHASIJ-UHFFFAOYSA-N
XLogP1.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3a,7a-dihydro-1H-indole?
The IUPAC name of 3a,7a-dihydro-1H-indole (CID 20577477) is 3a,7a-dihydro-1H-indole.
What is the SMILES notation for 3a,7a-dihydro-1H-indole?
The canonical SMILES for 3a,7a-dihydro-1H-indole is C1=CC2C=CNC2C=C1.
What is the InChIKey of 3a,7a-dihydro-1H-indole?
The InChIKey is HXAOUQJUSHASIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-9H.
What are the key properties of 3a,7a-dihydro-1H-indole?
3a,7a-dihydro-1H-indole has a molecular weight of 119.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7a-dihydro-1H-indole is sourced from PubChem (CID 20577477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).