[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium

C21H21NOP+ — CID 139243703

IUPAC[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium
SMILES[2H]N([2H])/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17,22H2/p+1/b21-16-/i/hD2
InChIKeyHUPOQCPYKPJZSP-QMVFVNGJSA-O
MW336.39 g/mol
LogP3.34
Rot. Bonds6

About [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium

[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium (PubChem CID 139243703) has the molecular formula C21H21NOP+ and a molecular weight of 336.39 g/mol. Its IUPAC name is [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium
PubChem CID139243703
Molecular FormulaC21H21NOP+
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium
SMILES[2H]N([2H])/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20NOP/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17,22H2/p+1/b21-16-/i/hD2
InChIKeyHUPOQCPYKPJZSP-QMVFVNGJSA-O
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-3-chlorobut-2-enyl)-triphenylphosphanium bromide
CID 71402853
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
[(4E)-3,7-dimethylocta-2,4,6-trienyl]-triphenylphosphanium
CID 135021083
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
CID 158884671
aminomethyl(triphenyl)phosphanium
CID 155040126
[(Z)-3-methyl-4-oxo-4-propan-2-yloxybut-2-enyl]-triphenylphosphanium chloride
CID 87981709
(5-cyclopropyl-3-methylpent-2-enyl)-triphenylphosphanium
CID 87714746
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
3-iminoprop-2-enyl(triphenyl)phosphanium
CID 139243695
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium?
The IUPAC name of [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium (CID 139243703) is [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium.
What is the SMILES notation for [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium?
The canonical SMILES for [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium is [2H]N([2H])/C(O)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium?
The InChIKey is HUPOQCPYKPJZSP-QMVFVNGJSA-O. The full InChI is InChI=1S/C21H20NOP/c22-21(23)16-17-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-16H,17,22H2/p+1/b21-16-/i/hD2.
What are the key properties of [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium?
[(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium has a molecular weight of 336.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dideuterioamino)-3-hydroxyprop-2-enyl]-triphenylphosphanium is sourced from PubChem (CID 139243703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).