O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine

C5H10N2O — CID 138486996

IUPACO-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine
SMILESC/C=C(/C=C/N)ON
InChIInChI=1S/C5H10N2O/c1-2-5(8-7)3-4-6/h2-4H,6-7H2,1H3/b4-3+,5-2-
InChIKeyZGNHSDHHTPOHLY-QSDRKMMISA-N
MW114.15 g/mol
LogP0.25
Rot. Bonds2

About O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine

O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine (PubChem CID 138486996) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine
PubChem CID138486996
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameO-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine
SMILESC/C=C(/C=C/N)ON
InChIInChI=1S/C5H10N2O/c1-2-5(8-7)3-4-6/h2-4H,6-7H2,1H3/b4-3+,5-2-
InChIKeyZGNHSDHHTPOHLY-QSDRKMMISA-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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Related Compounds

6-methyl-2H-oxazine
CID 54197167
(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol
CID 89205385
(2E,4Z,6E)-7-aminohepta-2,4,6-trien-3-ol
CID 89381406
6-ethenyl-2H-oxazine
CID 142777499
(2E,4Z)-5-aminopenta-2,4-dien-2-ol
CID 142960560
(3E,5Z)-6-aminohexa-1,3,5-trien-3-ol;ethane
CID 143142276
(1Z,3E)-1-aminopenta-1,3-dien-3-ol;ethane
CID 143256321
(1E,3E,5E)-3-methoxyhexa-1,3,5-triene-1,6-diamine
CID 144114264
(1Z,3E,5E)-1-aminohepta-1,3,5-trien-3-ol
CID 158876473
(3E,5E)-6-aminohexa-1,3,5-trien-3-ol
CID 164025741
(1Z,3E)-1-aminohexa-1,3,5-trien-3-ol
CID 167026838
(3E)-1-aminopenta-1,3-dien-3-ol
CID 173508404

Frequently Asked Questions

What is the IUPAC name of O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine?
The IUPAC name of O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine (CID 138486996) is O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine.
What is the SMILES notation for O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine?
The canonical SMILES for O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine is C/C=C(/C=C/N)ON.
What is the InChIKey of O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine?
The InChIKey is ZGNHSDHHTPOHLY-QSDRKMMISA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-5(8-7)3-4-6/h2-4H,6-7H2,1H3/b4-3+,5-2-.
What are the key properties of O-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine?
O-[(1E,3Z)-1-aminopenta-1,3-dien-3-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-[(1E,3Z)-1-aminopenta-1,3-dien-3-yl]hydroxylamine is sourced from PubChem (CID 138486996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).