CID 159864860

CH5BNO — CID 159864860

IUPAC—
SMILESCON.[B]
InChIInChI=1S/CH5NO.B/c1-3-2;/h2H2,1H3;
InChIKeyUTAGIPBHRKLUHL-UHFFFAOYSA-N
MW57.87 g/mol
LogP-0.87
Rot. Bonds

About CID 159864860

CID 159864860 (PubChem CID 159864860) has the molecular formula CH5BNO and a molecular weight of 57.87 g/mol.

Molecular Properties

Compound NameCID 159864860
PubChem CID159864860
Molecular FormulaCH5BNO
Molecular Weight57.87 g/mol
Exact Mass58.05
IUPAC Name—
SMILESCON.[B]
InChIInChI=1S/CH5NO.B/c1-3-2;/h2H2,1H3;
InChIKeyUTAGIPBHRKLUHL-UHFFFAOYSA-N
XLogP-0.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.87
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 159864860?
The IUPAC name of CID 159864860 (CID 159864860) is not available.
What is the SMILES notation for CID 159864860?
The canonical SMILES for CID 159864860 is CON.[B].
What is the InChIKey of CID 159864860?
The InChIKey is UTAGIPBHRKLUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NO.B/c1-3-2;/h2H2,1H3;.
What are the key properties of CID 159864860?
CID 159864860 has a molecular weight of 57.87 g/mol, XLogP of -0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159864860 is sourced from PubChem (CID 159864860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).