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

C6H11NO — CID 89191729

IUPACO-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine
SMILESC=C(C)/C=C(/C)ON
InChIInChI=1S/C6H11NO/c1-5(2)4-6(3)8-7/h4H,1,7H2,2-3H3/b6-4-
InChIKeyKBQBTMISLKPTCF-XQRVVYSFSA-N
MW113.16 g/mol
LogP1.36
Rot. Bonds2

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

O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine (PubChem CID 89191729) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine
PubChem CID89191729
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameO-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine
SMILESC=C(C)/C=C(/C)ON
InChIInChI=1S/C6H11NO/c1-5(2)4-6(3)8-7/h4H,1,7H2,2-3H3/b6-4-
InChIKeyKBQBTMISLKPTCF-XQRVVYSFSA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylpenta-2,4-dien-2-yl]hydroxylamine?
The IUPAC name of O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine (CID 89191729) is O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine?
The canonical SMILES for O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine is C=C(C)/C=C(/C)ON.
What is the InChIKey of O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine?
The InChIKey is KBQBTMISLKPTCF-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(2)4-6(3)8-7/h4H,1,7H2,2-3H3/b6-4-.
What are the key properties of O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine?
O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine has a molecular weight of 113.16 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydroxylamine is sourced from PubChem (CID 89191729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).