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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Related Compounds

(3Z,5E)-5-propoxyhepta-3,5-dien-1-amine
CID 89209291
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[(Z)-3-aminopent-3-enyl] hypoiodite
CID 143948459
lithium (E)-5-methylsulfanylpent-2-enoate
CID 155859064
ditert-butyl (2E,8E)-deca-2,8-dienedioate
CID 11266898
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
ethane;(3E,5Z)-4-(1-fluoroethoxy)nona-1,3,5-trien-2-amine
CID 163241945
(Z)-2-prop-2-enoxybut-2-enal
CID 87497193
tert-butyl (E)-4-aminooxybut-2-enoate
CID 19790226
N,N'-dihydroxyocta-2,6-dienediamide
CID 53435565
O-[(E)-pent-3-enyl]hydroxylamine
CID 87591306
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601

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).