CID 89362342

C5H4BNO — CID 89362342

IUPAC—
SMILES[B]c1cc(=O)cc[nH]1
InChIInChI=1S/C5H4BNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChIKeyGXINWBIOSCZXAQ-UHFFFAOYSA-N
MW104.90 g/mol
LogP-0.83
Rot. Bonds

About CID 89362342

CID 89362342 (PubChem CID 89362342) has the molecular formula C5H4BNO and a molecular weight of 104.90 g/mol.

Molecular Properties

Compound NameCID 89362342
PubChem CID89362342
Molecular FormulaC5H4BNO
Molecular Weight104.90 g/mol
Exact Mass105.04
IUPAC Name—
SMILES[B]c1cc(=O)cc[nH]1
InChIInChI=1S/C5H4BNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8)
InChIKeyGXINWBIOSCZXAQ-UHFFFAOYSA-N
XLogP-0.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.90
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
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 89362342?
The IUPAC name of CID 89362342 (CID 89362342) is not available.
What is the SMILES notation for CID 89362342?
The canonical SMILES for CID 89362342 is [B]c1cc(=O)cc[nH]1.
What is the InChIKey of CID 89362342?
The InChIKey is GXINWBIOSCZXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BNO/c6-5-3-4(8)1-2-7-5/h1-3H,(H,7,8).
What are the key properties of CID 89362342?
CID 89362342 has a molecular weight of 104.90 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89362342 is sourced from PubChem (CID 89362342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).