O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine

C7H14NOPS — CID 166810919

IUPACO-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine
SMILESC/C=C(\C=C/CCSP)ON
InChIInChI=1S/C7H14NOPS/c1-2-7(9-8)5-3-4-6-11-10/h2-3,5H,4,6,8,10H2,1H3/b5-3-,7-2+
InChIKeyCKBKZDBHMCNQOC-HLJKCGKSSA-N
MW191.24 g/mol
LogP2.25
Rot. Bonds5

About O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine

O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine (PubChem CID 166810919) has the molecular formula C7H14NOPS and a molecular weight of 191.24 g/mol. Its IUPAC name is O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine
PubChem CID166810919
Molecular FormulaC7H14NOPS
Molecular Weight191.24 g/mol
Exact Mass191.05
IUPAC NameO-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine
SMILESC/C=C(\C=C/CCSP)ON
InChIInChI=1S/C7H14NOPS/c1-2-7(9-8)5-3-4-6-11-10/h2-3,5H,4,6,8,10H2,1H3/b5-3-,7-2+
InChIKeyCKBKZDBHMCNQOC-HLJKCGKSSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine?
The IUPAC name of O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine (CID 166810919) is O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine.
What is the SMILES notation for O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine?
The canonical SMILES for O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine is C/C=C(\C=C/CCSP)ON.
What is the InChIKey of O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine?
The InChIKey is CKBKZDBHMCNQOC-HLJKCGKSSA-N. The full InChI is InChI=1S/C7H14NOPS/c1-2-7(9-8)5-3-4-6-11-10/h2-3,5H,4,6,8,10H2,1H3/b5-3-,7-2+.
What are the key properties of O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine?
O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine has a molecular weight of 191.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2E,4Z)-7-phosphanylsulfanylhepta-2,4-dien-3-yl]hydroxylamine is sourced from PubChem (CID 166810919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).