(3Z)-3-(bromomethylidene)oxolane

C5H7BrO — CID 146049163

IUPAC(3Z)-3-(bromomethylidene)oxolane
SMILESBr/C=C1/CCOC1
InChIInChI=1S/C5H7BrO/c6-3-5-1-2-7-4-5/h3H,1-2,4H2/b5-3-
InChIKeyMMILCUFJGCPUID-HYXAFXHYSA-N
MW163.01 g/mol
LogP1.69
Rot. Bonds

About (3Z)-3-(bromomethylidene)oxolane

(3Z)-3-(bromomethylidene)oxolane (PubChem CID 146049163) has the molecular formula C5H7BrO and a molecular weight of 163.01 g/mol. Its IUPAC name is (3Z)-3-(bromomethylidene)oxolane.

Molecular Properties

Compound Name(3Z)-3-(bromomethylidene)oxolane
PubChem CID146049163
Molecular FormulaC5H7BrO
Molecular Weight163.01 g/mol
Exact Mass161.97
IUPAC Name(3Z)-3-(bromomethylidene)oxolane
SMILESBr/C=C1/CCOC1
InChIInChI=1S/C5H7BrO/c6-3-5-1-2-7-4-5/h3H,1-2,4H2/b5-3-
InChIKeyMMILCUFJGCPUID-HYXAFXHYSA-N
XLogP1.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(bromomethylidene)oxolane?
The IUPAC name of (3Z)-3-(bromomethylidene)oxolane (CID 146049163) is (3Z)-3-(bromomethylidene)oxolane.
What is the SMILES notation for (3Z)-3-(bromomethylidene)oxolane?
The canonical SMILES for (3Z)-3-(bromomethylidene)oxolane is Br/C=C1/CCOC1.
What is the InChIKey of (3Z)-3-(bromomethylidene)oxolane?
The InChIKey is MMILCUFJGCPUID-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H7BrO/c6-3-5-1-2-7-4-5/h3H,1-2,4H2/b5-3-.
What are the key properties of (3Z)-3-(bromomethylidene)oxolane?
(3Z)-3-(bromomethylidene)oxolane has a molecular weight of 163.01 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(bromomethylidene)oxolane is sourced from PubChem (CID 146049163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).