1-bromocyclopropan-1-ol

C3H5BrO — CID 84762478

IUPAC1-bromocyclopropan-1-ol
SMILESOC1(Br)CC1
InChIInChI=1S/C3H5BrO/c4-3(5)1-2-3/h5H,1-2H2
InChIKeyLTYUSHFOPXFLOW-UHFFFAOYSA-N
MW136.98 g/mol
LogP0.86
Rot. Bonds

About 1-bromocyclopropan-1-ol

1-bromocyclopropan-1-ol (PubChem CID 84762478) has the molecular formula C3H5BrO and a molecular weight of 136.98 g/mol. Its IUPAC name is 1-bromocyclopropan-1-ol.

Molecular Properties

Compound Name1-bromocyclopropan-1-ol
PubChem CID84762478
Molecular FormulaC3H5BrO
Molecular Weight136.98 g/mol
Exact Mass135.95
IUPAC Name1-bromocyclopropan-1-ol
SMILESOC1(Br)CC1
InChIInChI=1S/C3H5BrO/c4-3(5)1-2-3/h5H,1-2H2
InChIKeyLTYUSHFOPXFLOW-UHFFFAOYSA-N
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.98
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromocyclopropan-1-ol?
The IUPAC name of 1-bromocyclopropan-1-ol (CID 84762478) is 1-bromocyclopropan-1-ol.
What is the SMILES notation for 1-bromocyclopropan-1-ol?
The canonical SMILES for 1-bromocyclopropan-1-ol is OC1(Br)CC1.
What is the InChIKey of 1-bromocyclopropan-1-ol?
The InChIKey is LTYUSHFOPXFLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrO/c4-3(5)1-2-3/h5H,1-2H2.
What are the key properties of 1-bromocyclopropan-1-ol?
1-bromocyclopropan-1-ol has a molecular weight of 136.98 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclopropan-1-ol is sourced from PubChem (CID 84762478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).