CID 22966943

C3H5BO — CID 22966943

IUPAC—
SMILES[B]C(=O)CC
InChIInChI=1S/C3H5BO/c1-2-3(4)5/h2H2,1H3
InChIKeyPFYAJHLVKOMZNC-UHFFFAOYSA-N
MW67.88 g/mol
LogP0.09
Rot. Bonds1

About CID 22966943

CID 22966943 (PubChem CID 22966943) has the molecular formula C3H5BO and a molecular weight of 67.88 g/mol.

Molecular Properties

Compound NameCID 22966943
PubChem CID22966943
Molecular FormulaC3H5BO
Molecular Weight67.88 g/mol
Exact Mass68.04
IUPAC Name—
SMILES[B]C(=O)CC
InChIInChI=1S/C3H5BO/c1-2-3(4)5/h2H2,1H3
InChIKeyPFYAJHLVKOMZNC-UHFFFAOYSA-N
XLogP0.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50067.88
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22966943?
The IUPAC name of CID 22966943 (CID 22966943) is not available.
What is the SMILES notation for CID 22966943?
The canonical SMILES for CID 22966943 is [B]C(=O)CC.
What is the InChIKey of CID 22966943?
The InChIKey is PFYAJHLVKOMZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BO/c1-2-3(4)5/h2H2,1H3.
What are the key properties of CID 22966943?
CID 22966943 has a molecular weight of 67.88 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22966943 is sourced from PubChem (CID 22966943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).