O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine

C5H10N2O — CID 89161120

IUPACO-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
SMILESC=C(N)/C=C(/C)ON
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(2)8-7/h3H,1,6-7H2,2H3/b5-3-
InChIKeyLRKJERDCAVJKKC-HYXAFXHYSA-N
MW114.15 g/mol
LogP0.25
Rot. Bonds2

About O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine

O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine (PubChem CID 89161120) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
PubChem CID89161120
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameO-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine
SMILESC=C(N)/C=C(/C)ON
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(2)8-7/h3H,1,6-7H2,2H3/b5-3-
InChIKeyLRKJERDCAVJKKC-HYXAFXHYSA-N
XLogP0.25
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine?
The IUPAC name of O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine (CID 89161120) is O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine?
The canonical SMILES for O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine is C=C(N)/C=C(/C)ON.
What is the InChIKey of O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine?
The InChIKey is LRKJERDCAVJKKC-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)3-5(2)8-7/h3H,1,6-7H2,2H3/b5-3-.
What are the key properties of O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine?
O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine has a molecular weight of 114.15 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2Z)-4-aminopenta-2,4-dien-2-yl]hydroxylamine is sourced from PubChem (CID 89161120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).