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

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Related Compounds

1-methyl-2,4,5,6-tetrahydro-1H-indene
CID 175386924
6-methyl-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),8-trien-2-one
CID 139438691
3-bromo-6-methylcyclohex-3-en-1-one
CID 175967122
(4S)-4-methylcyclobuten-1-amine
CID 164996658
4-tert-butyl-1-(cyclopenten-1-yl)cyclohexene
CID 102594765
5,5-bis(methoxymethyl)-1,7-dimethyl-1,2,4,6-tetrahydroindene
CID 71367517
(7S)-1,7-dimethyl-3,4,6,7-tetrahydro-2H-quinoline
CID 89023965
(1R)-4-(3-bromophenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 129387312
1-bromo-4-(4-cyclobutylcyclohexen-1-yl)benzene;1-cyclobutyl-4-methylbenzene;1-(cyclopenten-1-yl)-4-methylbenzene;1-(4-cyclopentylcyclohexen-1-yl)-4-methylbenzene;methane
CID 161342828
2,5-dimethylcyclohept-4-en-1-one
CID 11815431
(3aE,11Z)-5-methyl-2,3,5,6,7,8,9,10-octahydro-1H-cyclopenta[10]annulen-4-amine;ethane
CID 142404527
5-bromo-4-methylcyclohexa-1,5-diene-1-carbonyl chloride
CID 123339926

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).