1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene

C13H15Br — CID 170948533

IUPAC1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
SMILESC=CC1(c2cccc(Br)c2)CC(C)C1
InChIInChI=1S/C13H15Br/c1-3-13(8-10(2)9-13)11-5-4-6-12(14)7-11/h3-7,10H,1,8-9H2,2H3
InChIKeyMUJNNHMYQUPYGK-UHFFFAOYSA-N
MW251.17 g/mol
LogP4.30
Rot. Bonds2

About 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene

1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene (PubChem CID 170948533) has the molecular formula C13H15Br and a molecular weight of 251.17 g/mol. Its IUPAC name is 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
PubChem CID170948533
Molecular FormulaC13H15Br
Molecular Weight251.17 g/mol
Exact Mass250.04
IUPAC Name1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene
SMILESC=CC1(c2cccc(Br)c2)CC(C)C1
InChIInChI=1S/C13H15Br/c1-3-13(8-10(2)9-13)11-5-4-6-12(14)7-11/h3-7,10H,1,8-9H2,2H3
InChIKeyMUJNNHMYQUPYGK-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(1,3-dimethylcyclobutyl)benzene
CID 169179342
1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylic acid
CID 83488510
1,3-bis(3-bromophenyl)adamantane
CID 13449972
(4R)-4-(3-bromophenyl)-4-ethenyl-1,3-dioxolane
CID 125477011
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092
5-[1-(3-bromophenyl)-3-methylcyclobutyl]-4-methyl-1,5-dihydro-1,2,4-triazole
CID 170736844
methyl 1-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
3-[1-(3-bromophenyl)-3-methylcyclobutyl]-4-methyl-1H-1,2,4-triazole-5-thione
CID 155749465
3-(3-bromophenyl)oxolane-3-carbaldehyde
CID 130418265
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
4-(3-bromophenyl)-1-azabicyclo[2.2.2]octane
CID 115049492
1-[1-(3-bromophenyl)-3-methylcyclobutanecarbonyl]-1-(methylamino)thiourea
CID 171781426

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene?
The IUPAC name of 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene (CID 170948533) is 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene.
What is the SMILES notation for 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene?
The canonical SMILES for 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene is C=CC1(c2cccc(Br)c2)CC(C)C1.
What is the InChIKey of 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene?
The InChIKey is MUJNNHMYQUPYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br/c1-3-13(8-10(2)9-13)11-5-4-6-12(14)7-11/h3-7,10H,1,8-9H2,2H3.
What are the key properties of 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene?
1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene has a molecular weight of 251.17 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-ethenyl-3-methylcyclobutyl)benzene is sourced from PubChem (CID 170948533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).