O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine

C7H12N2O — CID 118486765

IUPACO-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine
SMILESCC1=CC=C(CON)CN1
InChIInChI=1S/C7H12N2O/c1-6-2-3-7(4-9-6)5-10-8/h2-3,9H,4-5,8H2,1H3
InChIKeyWZFYJJMJEPUQSU-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.31
Rot. Bonds2

About O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine

O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine (PubChem CID 118486765) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine
PubChem CID118486765
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameO-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine
SMILESCC1=CC=C(CON)CN1
InChIInChI=1S/C7H12N2O/c1-6-2-3-7(4-9-6)5-10-8/h2-3,9H,4-5,8H2,1H3
InChIKeyWZFYJJMJEPUQSU-UHFFFAOYSA-N
XLogP0.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine (CID 118486765) is O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine is CC1=CC=C(CON)CN1.
What is the InChIKey of O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine?
The InChIKey is WZFYJJMJEPUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-2-3-7(4-9-6)5-10-8/h2-3,9H,4-5,8H2,1H3.
What are the key properties of O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine?
O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine has a molecular weight of 140.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(6-methyl-1,2-dihydropyridin-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 118486765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).