O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine

C8H14N2O2 — CID 90453822

IUPACO-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine
SMILES[H]/N=C(\C=C(/C)ON)C(/C)=C/OC
InChIInChI=1S/C8H14N2O2/c1-6(5-11-3)8(9)4-7(2)12-10/h4-5,9H,10H2,1-3H3/b6-5+,7-4+,9-8+
InChIKeyOZTUDCKWZGSJML-NQFLCOPRSA-N
MW170.21 g/mol
LogP1.35
Rot. Bonds4

About O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine

O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine (PubChem CID 90453822) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine
PubChem CID90453822
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameO-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine
SMILES[H]/N=C(\C=C(/C)ON)C(/C)=C/OC
InChIInChI=1S/C8H14N2O2/c1-6(5-11-3)8(9)4-7(2)12-10/h4-5,9H,10H2,1-3H3/b6-5+,7-4+,9-8+
InChIKeyOZTUDCKWZGSJML-NQFLCOPRSA-N
XLogP1.35
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine?
The IUPAC name of O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine (CID 90453822) is O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine?
The canonical SMILES for O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine is [H]/N=C(\C=C(/C)ON)C(/C)=C/OC.
What is the InChIKey of O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine?
The InChIKey is OZTUDCKWZGSJML-NQFLCOPRSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(5-11-3)8(9)4-7(2)12-10/h4-5,9H,10H2,1-3H3/b6-5+,7-4+,9-8+.
What are the key properties of O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine?
O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine has a molecular weight of 170.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2E,5E)-4-imino-6-methoxy-5-methylhexa-2,5-dien-2-yl]hydroxylamine is sourced from PubChem (CID 90453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).