2,3-dihydro-1H-indole;hydrobromide

C8H10BrN — CID 18680303

IUPAC2,3-dihydro-1H-indole;hydrobromide
SMILESBr.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.BrH/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H
InChIKeyQDPRNTQRBDEORZ-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.23
Rot. Bonds

About 2,3-dihydro-1H-indole;hydrobromide

2,3-dihydro-1H-indole;hydrobromide (PubChem CID 18680303) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 2,3-dihydro-1H-indole;hydrobromide.

Molecular Properties

Compound Name2,3-dihydro-1H-indole;hydrobromide
PubChem CID18680303
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name2,3-dihydro-1H-indole;hydrobromide
SMILESBr.c1ccc2c(c1)CCN2
InChIInChI=1S/C8H9N.BrH/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H
InChIKeyQDPRNTQRBDEORZ-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indole;hydrobromide?
The IUPAC name of 2,3-dihydro-1H-indole;hydrobromide (CID 18680303) is 2,3-dihydro-1H-indole;hydrobromide.
What is the SMILES notation for 2,3-dihydro-1H-indole;hydrobromide?
The canonical SMILES for 2,3-dihydro-1H-indole;hydrobromide is Br.c1ccc2c(c1)CCN2.
What is the InChIKey of 2,3-dihydro-1H-indole;hydrobromide?
The InChIKey is QDPRNTQRBDEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.BrH/c1-2-4-8-7(3-1)5-6-9-8;/h1-4,9H,5-6H2;1H.
What are the key properties of 2,3-dihydro-1H-indole;hydrobromide?
2,3-dihydro-1H-indole;hydrobromide has a molecular weight of 200.08 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indole;hydrobromide is sourced from PubChem (CID 18680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).