CID 89030443

C5H7BO2 — CID 89030443

IUPAC—
SMILES[B][C@H]1CC[C@]2(CO2)O1
InChIInChI=1S/C5H7BO2/c6-4-1-2-5(8-4)3-7-5/h4H,1-3H2/t4-,5-/m1/s1
InChIKeyDLJVYPQAURWLBJ-RFZPGFLSSA-N
MW109.92 g/mol
LogP0.02
Rot. Bonds

About CID 89030443

CID 89030443 (PubChem CID 89030443) has the molecular formula C5H7BO2 and a molecular weight of 109.92 g/mol.

Molecular Properties

Compound NameCID 89030443
PubChem CID89030443
Molecular FormulaC5H7BO2
Molecular Weight109.92 g/mol
Exact Mass110.05
IUPAC Name—
SMILES[B][C@H]1CC[C@]2(CO2)O1
InChIInChI=1S/C5H7BO2/c6-4-1-2-5(8-4)3-7-5/h4H,1-3H2/t4-,5-/m1/s1
InChIKeyDLJVYPQAURWLBJ-RFZPGFLSSA-N
XLogP0.02
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.92
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89030443?
The IUPAC name of CID 89030443 (CID 89030443) is not available.
What is the SMILES notation for CID 89030443?
The canonical SMILES for CID 89030443 is [B][C@H]1CC[C@]2(CO2)O1.
What is the InChIKey of CID 89030443?
The InChIKey is DLJVYPQAURWLBJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H7BO2/c6-4-1-2-5(8-4)3-7-5/h4H,1-3H2/t4-,5-/m1/s1.
What are the key properties of CID 89030443?
CID 89030443 has a molecular weight of 109.92 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89030443 is sourced from PubChem (CID 89030443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).