(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine

C10H12BNO3 — CID 86685049

IUPAC(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine
SMILESCC1(C)OB(O)c2ccc(/C=N\O)cc21
InChIInChI=1S/C10H12BNO3/c1-10(2)8-5-7(6-12-14)3-4-9(8)11(13)15-10/h3-6,13-14H,1-2H3/b12-6-
InChIKeyNPMJSRPXNIKOIH-SDQBBNPISA-N
MW205.02 g/mol
LogP0.45
Rot. Bonds1

About (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine

(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine (PubChem CID 86685049) has the molecular formula C10H12BNO3 and a molecular weight of 205.02 g/mol. Its IUPAC name is (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine
PubChem CID86685049
Molecular FormulaC10H12BNO3
Molecular Weight205.02 g/mol
Exact Mass205.09
IUPAC Name(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine
SMILESCC1(C)OB(O)c2ccc(/C=N\O)cc21
InChIInChI=1S/C10H12BNO3/c1-10(2)8-5-7(6-12-14)3-4-9(8)11(13)15-10/h3-6,13-14H,1-2H3/b12-6-
InChIKeyNPMJSRPXNIKOIH-SDQBBNPISA-N
XLogP0.45
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine (CID 86685049) is (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine is CC1(C)OB(O)c2ccc(/C=N\O)cc21.
What is the InChIKey of (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine?
The InChIKey is NPMJSRPXNIKOIH-SDQBBNPISA-N. The full InChI is InChI=1S/C10H12BNO3/c1-10(2)8-5-7(6-12-14)3-4-9(8)11(13)15-10/h3-6,13-14H,1-2H3/b12-6-.
What are the key properties of (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine?
(NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine has a molecular weight of 205.02 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 86685049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).