(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane

C10H13Br — CID 89467509

IUPAC(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane
SMILESC=C1CCC/C1=C(Br)/C=C\C
InChIInChI=1S/C10H13Br/c1-3-5-10(11)9-7-4-6-8(9)2/h3,5H,2,4,6-7H2,1H3/b5-3-,10-9+
InChIKeySOYVAPJLDXOLBD-QLTGTRBLSA-N
MW213.12 g/mol
LogP3.95
Rot. Bonds1

About (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane

(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane (PubChem CID 89467509) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane.

Molecular Properties

Compound Name(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane
PubChem CID89467509
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane
SMILESC=C1CCC/C1=C(Br)/C=C\C
InChIInChI=1S/C10H13Br/c1-3-5-10(11)9-7-4-6-8(9)2/h3,5H,2,4,6-7H2,1H3/b5-3-,10-9+
InChIKeySOYVAPJLDXOLBD-QLTGTRBLSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane?
The IUPAC name of (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane (CID 89467509) is (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane.
What is the SMILES notation for (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane?
The canonical SMILES for (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane is C=C1CCC/C1=C(Br)/C=C\C.
What is the InChIKey of (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane?
The InChIKey is SOYVAPJLDXOLBD-QLTGTRBLSA-N. The full InChI is InChI=1S/C10H13Br/c1-3-5-10(11)9-7-4-6-8(9)2/h3,5H,2,4,6-7H2,1H3/b5-3-,10-9+.
What are the key properties of (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane?
(1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane has a molecular weight of 213.12 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(Z)-1-bromobut-2-enylidene]-2-methylidenecyclopentane is sourced from PubChem (CID 89467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).