N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine

C5H9N3O — CID 54280501

IUPACN-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine
SMILESONCCc1cnc[nH]1
InChIInChI=1S/C5H9N3O/c9-8-2-1-5-3-6-4-7-5/h3-4,8-9H,1-2H2,(H,6,7)
InChIKeyRQLLCBPTFACWDH-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.07
Rot. Bonds3

About N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine

N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine (PubChem CID 54280501) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine
PubChem CID54280501
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine
SMILESONCCc1cnc[nH]1
InChIInChI=1S/C5H9N3O/c9-8-2-1-5-3-6-4-7-5/h3-4,8-9H,1-2H2,(H,6,7)
InChIKeyRQLLCBPTFACWDH-UHFFFAOYSA-N
XLogP-0.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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 N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine (CID 54280501) is N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine is ONCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine?
The InChIKey is RQLLCBPTFACWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c9-8-2-1-5-3-6-4-7-5/h3-4,8-9H,1-2H2,(H,6,7).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine?
N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine has a molecular weight of 127.15 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 54280501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).