5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene

C10H13Br — CID 122224835

IUPAC5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene
SMILESBr/C=C\C1CC2C=CC1CC2
InChIInChI=1S/C10H13Br/c11-6-5-10-7-8-1-3-9(10)4-2-8/h1,3,5-6,8-10H,2,4,7H2/b6-5-
InChIKeyMDIDFUAZVDPNMI-WAYWQWQTSA-N
MW213.12 g/mol
LogP3.50
Rot. Bonds1

About 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene

5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene (PubChem CID 122224835) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene
PubChem CID122224835
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene
SMILESBr/C=C\C1CC2C=CC1CC2
InChIInChI=1S/C10H13Br/c11-6-5-10-7-8-1-3-9(10)4-2-8/h1,3,5-6,8-10H,2,4,7H2/b6-5-
InChIKeyMDIDFUAZVDPNMI-WAYWQWQTSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.50
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

(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(E)-2-(2-bicyclo[2.2.1]hept-5-enyl)ethenamine
CID 89078069
(1S,4S)-5-[(E)-prop-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 58746218
5-but-1-enylbicyclo[2.2.1]hept-2-ene
CID 54508174
5-buta-1,3-dienylbicyclo[2.2.1]hept-2-ene
CID 54145827
[(1R,2S,4R)-2-bicyclo[2.2.2]oct-5-enyl]methanol
CID 11863585
(1S,2S,4R)-bicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 98571382
5-ethynylbicyclo[2.2.2]oct-2-ene
CID 12662373
(E)-3-[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]prop-2-enoic acid
CID 44607797
(E)-4-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylbut-3-en-2-ol
CID 12567594
5-[(E)-pent-1-enyl]bicyclo[2.2.1]hept-2-ene
CID 18522509

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene?
The IUPAC name of 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene (CID 122224835) is 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene?
The canonical SMILES for 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene is Br/C=C\C1CC2C=CC1CC2.
What is the InChIKey of 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene?
The InChIKey is MDIDFUAZVDPNMI-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13Br/c11-6-5-10-7-8-1-3-9(10)4-2-8/h1,3,5-6,8-10H,2,4,7H2/b6-5-.
What are the key properties of 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene?
5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene has a molecular weight of 213.12 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-bromoethenyl]bicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 122224835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).