CID 59335606

C5H7BO2 — CID 59335606

IUPAC—
SMILES[B][C@H]1C[C@H](O)C(=C)O1
InChIInChI=1S/C5H7BO2/c1-3-4(7)2-5(6)8-3/h4-5,7H,1-2H2/t4-,5+/m0/s1
InChIKeyRRVUOLCEDMBTNE-CRCLSJGQSA-N
MW109.92 g/mol
LogP-0.22
Rot. Bonds

About CID 59335606

CID 59335606 (PubChem CID 59335606) has the molecular formula C5H7BO2 and a molecular weight of 109.92 g/mol.

Molecular Properties

Compound NameCID 59335606
PubChem CID59335606
Molecular FormulaC5H7BO2
Molecular Weight109.92 g/mol
Exact Mass110.05
IUPAC Name—
SMILES[B][C@H]1C[C@H](O)C(=C)O1
InChIInChI=1S/C5H7BO2/c1-3-4(7)2-5(6)8-3/h4-5,7H,1-2H2/t4-,5+/m0/s1
InChIKeyRRVUOLCEDMBTNE-CRCLSJGQSA-N
XLogP-0.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.92
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 59335606?
The IUPAC name of CID 59335606 (CID 59335606) is not available.
What is the SMILES notation for CID 59335606?
The canonical SMILES for CID 59335606 is [B][C@H]1C[C@H](O)C(=C)O1.
What is the InChIKey of CID 59335606?
The InChIKey is RRVUOLCEDMBTNE-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H7BO2/c1-3-4(7)2-5(6)8-3/h4-5,7H,1-2H2/t4-,5+/m0/s1.
What are the key properties of CID 59335606?
CID 59335606 has a molecular weight of 109.92 g/mol, XLogP of -0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59335606 is sourced from PubChem (CID 59335606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).