7-bromo-5-methyl-2,3-dihydro-1H-indole

C9H10BrN — CID 16789330

IUPAC7-bromo-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C9H10BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h4-5,11H,2-3H2,1H3
InChIKeyBNADHFISOVTLKF-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.73
Rot. Bonds

About 7-bromo-5-methyl-2,3-dihydro-1H-indole

7-bromo-5-methyl-2,3-dihydro-1H-indole (PubChem CID 16789330) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 7-bromo-5-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-bromo-5-methyl-2,3-dihydro-1H-indole
PubChem CID16789330
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name7-bromo-5-methyl-2,3-dihydro-1H-indole
SMILESCc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C9H10BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h4-5,11H,2-3H2,1H3
InChIKeyBNADHFISOVTLKF-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-2,3-dihydro-1H-indole?
The IUPAC name of 7-bromo-5-methyl-2,3-dihydro-1H-indole (CID 16789330) is 7-bromo-5-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-bromo-5-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for 7-bromo-5-methyl-2,3-dihydro-1H-indole is Cc1cc(Br)c2c(c1)CCN2.
What is the InChIKey of 7-bromo-5-methyl-2,3-dihydro-1H-indole?
The InChIKey is BNADHFISOVTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 7-bromo-5-methyl-2,3-dihydro-1H-indole?
7-bromo-5-methyl-2,3-dihydro-1H-indole has a molecular weight of 212.09 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 16789330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).