7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene

C10H13Br — CID 175354901

IUPAC7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene
SMILESCC1CC=C2CCCC(Br)=C21
InChIInChI=1S/C10H13Br/c1-7-5-6-8-3-2-4-9(11)10(7)8/h6-7H,2-5H2,1H3
InChIKeyNYKIPQMEABXKIT-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.79
Rot. Bonds

About 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene

7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene (PubChem CID 175354901) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene.

Molecular Properties

Compound Name7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene
PubChem CID175354901
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene
SMILESCC1CC=C2CCCC(Br)=C21
InChIInChI=1S/C10H13Br/c1-7-5-6-8-3-2-4-9(11)10(7)8/h6-7H,2-5H2,1H3
InChIKeyNYKIPQMEABXKIT-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene?
The IUPAC name of 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene (CID 175354901) is 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene.
What is the SMILES notation for 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene?
The canonical SMILES for 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene is CC1CC=C2CCCC(Br)=C21.
What is the InChIKey of 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene?
The InChIKey is NYKIPQMEABXKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c1-7-5-6-8-3-2-4-9(11)10(7)8/h6-7H,2-5H2,1H3.
What are the key properties of 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene?
7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene has a molecular weight of 213.12 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-2,4,5,6-tetrahydro-1H-indene is sourced from PubChem (CID 175354901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).