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

C5H11NO3 — CID 134925790

IUPACO-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine
SMILESCC1COC(CON)O1
InChIInChI=1S/C5H11NO3/c1-4-2-7-5(9-4)3-8-6/h4-5H,2-3,6H2,1H3
InChIKeyWTEPOBHGZYQKRU-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.36
Rot. Bonds2

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

O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine (PubChem CID 134925790) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine
PubChem CID134925790
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC NameO-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine
SMILESCC1COC(CON)O1
InChIInChI=1S/C5H11NO3/c1-4-2-7-5(9-4)3-8-6/h4-5H,2-3,6H2,1H3
InChIKeyWTEPOBHGZYQKRU-UHFFFAOYSA-N
XLogP-0.36
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.36
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-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine (CID 134925790) is O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine is CC1COC(CON)O1.
What is the InChIKey of O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine?
The InChIKey is WTEPOBHGZYQKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-4-2-7-5(9-4)3-8-6/h4-5H,2-3,6H2,1H3.
What are the key properties of O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine?
O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine has a molecular weight of 133.15 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methyl-1,3-dioxolan-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 134925790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).