1-bromobut-1-enylbenzene

C10H11Br — CID 73187599

IUPAC1-bromobut-1-enylbenzene
SMILESCCC=C(Br)c1ccccc1
InChIInChI=1S/C10H11Br/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8H,2H2,1H3
InChIKeyOBDPBCSRVVJPAP-UHFFFAOYSA-N
MW211.10 g/mol
LogP3.83
Rot. Bonds2

About 1-bromobut-1-enylbenzene

1-bromobut-1-enylbenzene (PubChem CID 73187599) has the molecular formula C10H11Br and a molecular weight of 211.10 g/mol. Its IUPAC name is 1-bromobut-1-enylbenzene.

Molecular Properties

Compound Name1-bromobut-1-enylbenzene
PubChem CID73187599
Molecular FormulaC10H11Br
Molecular Weight211.10 g/mol
Exact Mass210.00
IUPAC Name1-bromobut-1-enylbenzene
SMILESCCC=C(Br)c1ccccc1
InChIInChI=1S/C10H11Br/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8H,2H2,1H3
InChIKeyOBDPBCSRVVJPAP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromobut-1-enylbenzene?
The IUPAC name of 1-bromobut-1-enylbenzene (CID 73187599) is 1-bromobut-1-enylbenzene.
What is the SMILES notation for 1-bromobut-1-enylbenzene?
The canonical SMILES for 1-bromobut-1-enylbenzene is CCC=C(Br)c1ccccc1.
What is the InChIKey of 1-bromobut-1-enylbenzene?
The InChIKey is OBDPBCSRVVJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br/c1-2-6-10(11)9-7-4-3-5-8-9/h3-8H,2H2,1H3.
What are the key properties of 1-bromobut-1-enylbenzene?
1-bromobut-1-enylbenzene has a molecular weight of 211.10 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromobut-1-enylbenzene is sourced from PubChem (CID 73187599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).