2-bromo-2-cyclopropylideneethanol

C5H7BrO — CID 130128536

IUPAC2-bromo-2-cyclopropylideneethanol
SMILESOCC(Br)=C1CC1
InChIInChI=1S/C5H7BrO/c6-5(3-7)4-1-2-4/h7H,1-3H2
InChIKeyUVNYRZNDMBKFKT-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.42
Rot. Bonds1

About 2-bromo-2-cyclopropylideneethanol

2-bromo-2-cyclopropylideneethanol (PubChem CID 130128536) has the molecular formula C5H7BrO and a molecular weight of 163.01 g/mol. Its IUPAC name is 2-bromo-2-cyclopropylideneethanol.

Molecular Properties

Compound Name2-bromo-2-cyclopropylideneethanol
PubChem CID130128536
Molecular FormulaC5H7BrO
Molecular Weight163.01 g/mol
Exact Mass161.97
IUPAC Name2-bromo-2-cyclopropylideneethanol
SMILESOCC(Br)=C1CC1
InChIInChI=1S/C5H7BrO/c6-5(3-7)4-1-2-4/h7H,1-3H2
InChIKeyUVNYRZNDMBKFKT-UHFFFAOYSA-N
XLogP1.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-cyclopropylideneethanol?
The IUPAC name of 2-bromo-2-cyclopropylideneethanol (CID 130128536) is 2-bromo-2-cyclopropylideneethanol.
What is the SMILES notation for 2-bromo-2-cyclopropylideneethanol?
The canonical SMILES for 2-bromo-2-cyclopropylideneethanol is OCC(Br)=C1CC1.
What is the InChIKey of 2-bromo-2-cyclopropylideneethanol?
The InChIKey is UVNYRZNDMBKFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrO/c6-5(3-7)4-1-2-4/h7H,1-3H2.
What are the key properties of 2-bromo-2-cyclopropylideneethanol?
2-bromo-2-cyclopropylideneethanol has a molecular weight of 163.01 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-cyclopropylideneethanol is sourced from PubChem (CID 130128536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).