O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine

C8H14N2O — CID 176556863

IUPACO-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine
SMILESC=C/C(ON)=C(N)\C=C/CC
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(9)8(4-2)11-10/h4-6H,2-3,9-10H2,1H3/b6-5-,8-7-
InChIKeyVSIWXXCMUQNZBZ-ISTTXYCBSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds4

About O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine

O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine (PubChem CID 176556863) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine
PubChem CID176556863
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameO-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine
SMILESC=C/C(ON)=C(N)\C=C/CC
InChIInChI=1S/C8H14N2O/c1-3-5-6-7(9)8(4-2)11-10/h4-6H,2-3,9-10H2,1H3/b6-5-,8-7-
InChIKeyVSIWXXCMUQNZBZ-ISTTXYCBSA-N
XLogP1.20
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
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-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine?
The IUPAC name of O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine (CID 176556863) is O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine.
What is the SMILES notation for O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine?
The canonical SMILES for O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine is C=C/C(ON)=C(N)\C=C/CC.
What is the InChIKey of O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine?
The InChIKey is VSIWXXCMUQNZBZ-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-6-7(9)8(4-2)11-10/h4-6H,2-3,9-10H2,1H3/b6-5-,8-7-.
What are the key properties of O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine?
O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine has a molecular weight of 154.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3Z,5Z)-4-aminoocta-1,3,5-trien-3-yl]hydroxylamine is sourced from PubChem (CID 176556863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).