O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine

C11H15NO3 — CID 10465682

IUPACO-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
SMILESCC1(c2ccccc2)OCC(CON)O1
InChIInChI=1S/C11H15NO3/c1-11(9-5-3-2-4-6-9)13-7-10(15-11)8-14-12/h2-6,10H,7-8,12H2,1H3
InChIKeyXCWMKRVFLSBRPU-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.16
Rot. Bonds3

About O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine

O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine (PubChem CID 10465682) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
PubChem CID10465682
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC NameO-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
SMILESCC1(c2ccccc2)OCC(CON)O1
InChIInChI=1S/C11H15NO3/c1-11(9-5-3-2-4-6-9)13-7-10(15-11)8-14-12/h2-6,10H,7-8,12H2,1H3
InChIKeyXCWMKRVFLSBRPU-UHFFFAOYSA-N
XLogP1.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine (CID 10465682) is O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine is CC1(c2ccccc2)OCC(CON)O1.
What is the InChIKey of O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine?
The InChIKey is XCWMKRVFLSBRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(9-5-3-2-4-6-9)13-7-10(15-11)8-14-12/h2-6,10H,7-8,12H2,1H3.
What are the key properties of O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine?
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine has a molecular weight of 209.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine is sourced from PubChem (CID 10465682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).