6-bromo-2-methyl-3a,7a-dihydro-1H-indole

C9H10BrN — CID 112713949

IUPAC6-bromo-2-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CC2C=CC(Br)=CC2N1
InChIInChI=1S/C9H10BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,7,9,11H,1H3
InChIKeyWRCPVADUBUCRAH-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.33
Rot. Bonds

About 6-bromo-2-methyl-3a,7a-dihydro-1H-indole

6-bromo-2-methyl-3a,7a-dihydro-1H-indole (PubChem CID 112713949) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 6-bromo-2-methyl-3a,7a-dihydro-1H-indole.

Molecular Properties

Compound Name6-bromo-2-methyl-3a,7a-dihydro-1H-indole
PubChem CID112713949
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name6-bromo-2-methyl-3a,7a-dihydro-1H-indole
SMILESCC1=CC2C=CC(Br)=CC2N1
InChIInChI=1S/C9H10BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,7,9,11H,1H3
InChIKeyWRCPVADUBUCRAH-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-4a,8a-dihydro-1H-quinolin-2-one
CID 89245804
4-bromo-2-methyl-3a,7a-dihydro-1H-indole
CID 112713951
2-(2-methyl-3a,7a-dihydro-1H-indol-5-yl)acetic acid
CID 112712571
6-bromo-2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 163524834
5-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491786
6-bromo-2-methyl-1,8a-dihydroquinoline
CID 145491535
6-amino-4a,8a-dihydro-1H-quinolin-2-one
CID 163515053
(3aR,7aR)-3,5-dibromo-3a,7a-dihydro-1H-indazole
CID 99973090
(6R)-4-bromo-6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 167136179
5-methyl-3a,7a-dihydro-1H-indole
CID 59013901
5-bromo-1-methoxy-2-methyl-1,2-dihydropyridin-1-ium
CID 143187904
6-bromo-1,1,4,4-tetramethyl-2,3,4a,8a-tetrahydronaphthalene
CID 142949508

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The IUPAC name of 6-bromo-2-methyl-3a,7a-dihydro-1H-indole (CID 112713949) is 6-bromo-2-methyl-3a,7a-dihydro-1H-indole.
What is the SMILES notation for 6-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The canonical SMILES for 6-bromo-2-methyl-3a,7a-dihydro-1H-indole is CC1=CC2C=CC(Br)=CC2N1.
What is the InChIKey of 6-bromo-2-methyl-3a,7a-dihydro-1H-indole?
The InChIKey is WRCPVADUBUCRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,7,9,11H,1H3.
What are the key properties of 6-bromo-2-methyl-3a,7a-dihydro-1H-indole?
6-bromo-2-methyl-3a,7a-dihydro-1H-indole has a molecular weight of 212.09 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-3a,7a-dihydro-1H-indole is sourced from PubChem (CID 112713949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).