2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide

C9H10BNO3 — CID 58404024

IUPAC2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide
SMILESNC(=O)Cc1ccc2c(c1)B(O)OC2
InChIInChI=1S/C9H10BNO3/c11-9(12)4-6-1-2-7-5-14-10(13)8(7)3-6/h1-3,13H,4-5H2,(H2,11,12)
InChIKeyHJVMHLMVBPTCIX-UHFFFAOYSA-N
MW191.00 g/mol
LogP-1.07
Rot. Bonds2

About 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide

2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide (PubChem CID 58404024) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide
PubChem CID58404024
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC Name2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide
SMILESNC(=O)Cc1ccc2c(c1)B(O)OC2
InChIInChI=1S/C9H10BNO3/c11-9(12)4-6-1-2-7-5-14-10(13)8(7)3-6/h1-3,13H,4-5H2,(H2,11,12)
InChIKeyHJVMHLMVBPTCIX-UHFFFAOYSA-N
XLogP-1.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide?
The IUPAC name of 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide (CID 58404024) is 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide.
What is the SMILES notation for 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide?
The canonical SMILES for 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide is NC(=O)Cc1ccc2c(c1)B(O)OC2.
What is the InChIKey of 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide?
The InChIKey is HJVMHLMVBPTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO3/c11-9(12)4-6-1-2-7-5-14-10(13)8(7)3-6/h1-3,13H,4-5H2,(H2,11,12).
What are the key properties of 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide?
2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide has a molecular weight of 191.00 g/mol, XLogP of -1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)acetamide is sourced from PubChem (CID 58404024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).