N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide

C9H10BNO3 — CID 144679383

IUPACN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide
SMILESO=CNc1ccc2c(c1)B(O)OCC2
InChIInChI=1S/C9H10BNO3/c12-6-11-8-2-1-7-3-4-14-10(13)9(7)5-8/h1-2,5-6,13H,3-4H2,(H,11,12)
InChIKeyVVEIWBLVXISFRB-UHFFFAOYSA-N
MW191.00 g/mol
LogP-0.48
Rot. Bonds2

About N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide

N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide (PubChem CID 144679383) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide.

Molecular Properties

Compound NameN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide
PubChem CID144679383
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC NameN-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide
SMILESO=CNc1ccc2c(c1)B(O)OCC2
InChIInChI=1S/C9H10BNO3/c12-6-11-8-2-1-7-3-4-14-10(13)9(7)5-8/h1-2,5-6,13H,3-4H2,(H,11,12)
InChIKeyVVEIWBLVXISFRB-UHFFFAOYSA-N
XLogP-0.48
TPSA58.56 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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide?
The IUPAC name of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide (CID 144679383) is N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide.
What is the SMILES notation for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide?
The canonical SMILES for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide is O=CNc1ccc2c(c1)B(O)OCC2.
What is the InChIKey of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide?
The InChIKey is VVEIWBLVXISFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO3/c12-6-11-8-2-1-7-3-4-14-10(13)9(7)5-8/h1-2,5-6,13H,3-4H2,(H,11,12).
What are the key properties of N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide?
N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide has a molecular weight of 191.00 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3,4-dihydro-2,1-benzoxaborinin-7-yl)formamide is sourced from PubChem (CID 144679383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).