O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine

C6H14N2O — CID 20595377

IUPACO-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
SMILESCN1CCC(CON)C1
InChIInChI=1S/C6H14N2O/c1-8-3-2-6(4-8)5-9-7/h6H,2-5,7H2,1H3
InChIKeyHCFKVZKKNWFWBA-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.17
Rot. Bonds2

About O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine

O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine (PubChem CID 20595377) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
PubChem CID20595377
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC NameO-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine
SMILESCN1CCC(CON)C1
InChIInChI=1S/C6H14N2O/c1-8-3-2-6(4-8)5-9-7/h6H,2-5,7H2,1H3
InChIKeyHCFKVZKKNWFWBA-UHFFFAOYSA-N
XLogP-0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[[(3S)-pyrrolidin-3-yl]methyl]hydroxylamine
CID 149567589
(R)-O-(Pyrrolidin-3-ylmethyl)hydroxylamine
CID 172868993
(1-Ethylpyrrolidin-3-yl)methyl hypofluorite
CID 142317749
(1-Methylpyrrolidin-3-yl)methyl hypofluorite
CID 164002426
3-(Methoxymethyl)-1-methylpyrrolidine
CID 21041461
1-Methyl-3-(methylperoxymethyl)-1-oxidopyrrolidin-1-ium
CID 23557869
1-Methyl-3-(methylperoxymethyl)pyrrolidine
CID 23557870
1-Ethyl-3-(methoxymethyl)pyrrolidine
CID 57609435
(3S)-3-(methoxymethyl)-1-methylpyrrolidine
CID 58134409
3-(Methoxymethyl)-1-propylpyrrolidine
CID 59535774
(3R)-3-(methoxymethyl)-1-methylpyrrolidine
CID 60133896
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409

Frequently Asked Questions

What is the IUPAC name of O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine (CID 20595377) is O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine is CN1CCC(CON)C1.
What is the InChIKey of O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine?
The InChIKey is HCFKVZKKNWFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8-3-2-6(4-8)5-9-7/h6H,2-5,7H2,1H3.
What are the key properties of O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine?
O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine has a molecular weight of 130.19 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(1-methylpyrrolidin-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 20595377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).