CID 59987741

C5H7BO3 — CID 59987741

IUPAC—
SMILES[B][C@@H]1OC(=C)[C@@H](O)C1O
InChIInChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4?,5-/m1/s1
InChIKeyFVVOFLJGBPJFFG-MCZAYYIJSA-N
MW125.92 g/mol
LogP-1.25
Rot. Bonds

About CID 59987741

CID 59987741 (PubChem CID 59987741) has the molecular formula C5H7BO3 and a molecular weight of 125.92 g/mol.

Molecular Properties

Compound NameCID 59987741
PubChem CID59987741
Molecular FormulaC5H7BO3
Molecular Weight125.92 g/mol
Exact Mass126.05
IUPAC Name—
SMILES[B][C@@H]1OC(=C)[C@@H](O)C1O
InChIInChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4?,5-/m1/s1
InChIKeyFVVOFLJGBPJFFG-MCZAYYIJSA-N
XLogP-1.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.92
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 59987741 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59987741?
The IUPAC name of CID 59987741 (CID 59987741) is not available.
What is the SMILES notation for CID 59987741?
The canonical SMILES for CID 59987741 is [B][C@@H]1OC(=C)[C@@H](O)C1O.
What is the InChIKey of CID 59987741?
The InChIKey is FVVOFLJGBPJFFG-MCZAYYIJSA-N. The full InChI is InChI=1S/C5H7BO3/c1-2-3(7)4(8)5(6)9-2/h3-5,7-8H,1H2/t3-,4?,5-/m1/s1.
What are the key properties of CID 59987741?
CID 59987741 has a molecular weight of 125.92 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59987741 is sourced from PubChem (CID 59987741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).