(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide

C9H17IN3O4P — CID 15685821

IUPAC(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
SMILESO=P(/C(I)=N/O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H17IN3O4P/c10-9(11-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h14H,1-8H2/b11-9+
InChIKeyYPBIBNIOUNPNCG-PKNBQFBNSA-N
MW389.13 g/mol
LogP1.02
Rot. Bonds3

About (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide

(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide (PubChem CID 15685821) has the molecular formula C9H17IN3O4P and a molecular weight of 389.13 g/mol. Its IUPAC name is (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide.

Molecular Properties

Compound Name(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
PubChem CID15685821
Molecular FormulaC9H17IN3O4P
Molecular Weight389.13 g/mol
Exact Mass389.00
IUPAC Name(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide
SMILESO=P(/C(I)=N/O)(N1CCOCC1)N1CCOCC1
InChIInChI=1S/C9H17IN3O4P/c10-9(11-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h14H,1-8H2/b11-9+
InChIKeyYPBIBNIOUNPNCG-PKNBQFBNSA-N
XLogP1.02
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.13
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[dimorpholin-4-ylphosphoryl(morpholin-4-yl)methylidene]hydroxylamine
CID 5417930
dimorpholin-4-ylphosphinic acid
CID 4193589
N,N'-bis(2-chloro-2-dimorpholin-4-ylphosphorylethenyl)ethane-1,2-diamine
CID 5138034
N-hydroxy-2-morpholin-4-yl-2-oxoethanimidoyl chloride
CID 75088881
2-bromo-2-dimorpholin-4-ylphosphorylacetaldehyde
CID 2783560
2-hydroxyimino-3-morpholin-4-yl-1-piperidin-1-ylpropan-1-one
CID 72506203
morpholin-4-yl dihydrogen phosphate
CID 57078331
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
4-diaminophosphinothioylmorpholine
CID 57020028
dimorpholin-4-yl-sulfanylidene-sulfido-λ5-phosphane
CID 171129956
methyl-dimorpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 2506566
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide?
The IUPAC name of (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide (CID 15685821) is (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide.
What is the SMILES notation for (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide?
The canonical SMILES for (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide is O=P(/C(I)=N/O)(N1CCOCC1)N1CCOCC1.
What is the InChIKey of (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide?
The InChIKey is YPBIBNIOUNPNCG-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H17IN3O4P/c10-9(11-14)18(15,12-1-5-16-6-2-12)13-3-7-17-8-4-13/h14H,1-8H2/b11-9+.
What are the key properties of (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide?
(1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide has a molecular weight of 389.13 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-dimorpholin-4-ylphosphoryl-N-hydroxymethanimidoyl iodide is sourced from PubChem (CID 15685821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).