5,6-dihydro-4H-indole

C8H9N — CID 57227928

IUPAC5,6-dihydro-4H-indole
SMILESC1=NC2=CCCCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h4-6H,1-3H2
InChIKeyNFUNOLVHAQVYDT-UHFFFAOYSA-N
MW119.17 g/mol
LogP2.07
Rot. Bonds

About 5,6-dihydro-4H-indole

5,6-dihydro-4H-indole (PubChem CID 57227928) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 5,6-dihydro-4H-indole.

Molecular Properties

Compound Name5,6-dihydro-4H-indole
PubChem CID57227928
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name5,6-dihydro-4H-indole
SMILESC1=NC2=CCCCC2=C1
InChIInChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h4-6H,1-3H2
InChIKeyNFUNOLVHAQVYDT-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-indole?
The IUPAC name of 5,6-dihydro-4H-indole (CID 57227928) is 5,6-dihydro-4H-indole.
What is the SMILES notation for 5,6-dihydro-4H-indole?
The canonical SMILES for 5,6-dihydro-4H-indole is C1=NC2=CCCCC2=C1.
What is the InChIKey of 5,6-dihydro-4H-indole?
The InChIKey is NFUNOLVHAQVYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h4-6H,1-3H2.
What are the key properties of 5,6-dihydro-4H-indole?
5,6-dihydro-4H-indole has a molecular weight of 119.17 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-indole is sourced from PubChem (CID 57227928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).