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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethylphenyl)-4-(methoxymethyl)-2-methyl-1,3-dioxolane
CID 22968906
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]azetidin-3-ol
CID 63282356
1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methylsulfanyl]butan-2-amine
CID 66229158
[(2R,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988329
[(2S,4S)-2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988330
3-methyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 65448257
[(2S,4R)-2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl carbamate
CID 38988328
2-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl-propan-2-ylamino]ethanol
CID 62021539
[(2S,4S)-2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]methyl carbamate
CID 21128707
[2-(3-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 117169887
2,5-dimethyl-1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperazine
CID 64980499
[1-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]piperidin-2-yl]methanol
CID 62020984

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).