O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine

C7H16N2O2 — CID 164903841

IUPACO-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
SMILESCOC1CC(CON)N(C)C1
InChIInChI=1S/C7H16N2O2/c1-9-4-7(10-2)3-6(9)5-11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyYCLTXDHKORQKPA-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.40
Rot. Bonds3

About O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine

O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine (PubChem CID 164903841) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
PubChem CID164903841
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameO-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine
SMILESCOC1CC(CON)N(C)C1
InChIInChI=1S/C7H16N2O2/c1-9-4-7(10-2)3-6(9)5-11-8/h6-7H,3-5,8H2,1-2H3
InChIKeyYCLTXDHKORQKPA-UHFFFAOYSA-N
XLogP-0.40
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.40
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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Related Compounds

2-[(2R)-4-methoxy-1-methylpyrrolidin-2-yl]acetonitrile
CID 54012474
methyl 4-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 58778865
O-[[(4R)-1-methyl-4-piperidin-1-ylpyrrolidin-2-yl]methyl]hydroxylamine
CID 137415171
O-[[(4S)-1-methyl-4-morpholin-4-ylpyrrolidin-2-yl]methyl]hydroxylamine
CID 137415055
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
(2S,4R)-4-ethoxy-2-(ethoxymethyl)-1-methylpyrrolidine
CID 88977159
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
5-(methoxymethyl)-N,1-dimethylpyrrolidin-3-amine
CID 20705157
(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carboxamide
CID 127011619
(1-ethyl-4-methoxypyrrolidin-2-yl)methanamine
CID 126985147
3-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]pyrazine-2-carbonitrile
CID 128979212
5-bromo-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methylpyrimidin-2-amine
CID 128979202

Frequently Asked Questions

What is the IUPAC name of O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine (CID 164903841) is O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine is COC1CC(CON)N(C)C1.
What is the InChIKey of O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
The InChIKey is YCLTXDHKORQKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9-4-7(10-2)3-6(9)5-11-8/h6-7H,3-5,8H2,1-2H3.
What are the key properties of O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine?
O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine has a molecular weight of 160.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methoxy-1-methylpyrrolidin-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 164903841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).