O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine

C6H13N3O — CID 123734541

IUPACO-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine
SMILESCN1C=CN(CCON)C1
InChIInChI=1S/C6H13N3O/c1-8-2-3-9(6-8)4-5-10-7/h2-3H,4-7H2,1H3
InChIKeySUBKFFHGHLKCRU-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.45
Rot. Bonds3

About O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine

O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine (PubChem CID 123734541) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine
PubChem CID123734541
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameO-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine
SMILESCN1C=CN(CCON)C1
InChIInChI=1S/C6H13N3O/c1-8-2-3-9(6-8)4-5-10-7/h2-3H,4-7H2,1H3
InChIKeySUBKFFHGHLKCRU-UHFFFAOYSA-N
XLogP-0.45
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.45
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-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine (CID 123734541) is O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine is CN1C=CN(CCON)C1.
What is the InChIKey of O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine?
The InChIKey is SUBKFFHGHLKCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-8-2-3-9(6-8)4-5-10-7/h2-3H,4-7H2,1H3.
What are the key properties of O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine?
O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine has a molecular weight of 143.19 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-methyl-2H-imidazol-1-yl)ethyl]hydroxylamine is sourced from PubChem (CID 123734541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).