(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium

C5H10ClNO3P+ — CID 71338968

IUPAC(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium
SMILESCCOC[P+](=O)ON=C(C)Cl
InChIInChI=1S/C5H10ClNO3P/c1-3-9-4-11(8)10-7-5(2)6/h3-4H2,1-2H3/q+1
InChIKeyBXDJMKNZWCOKMO-UHFFFAOYSA-N
MW198.57 g/mol
LogP2.31
Rot. Bonds5

About (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium

(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium (PubChem CID 71338968) has the molecular formula C5H10ClNO3P+ and a molecular weight of 198.57 g/mol. Its IUPAC name is (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium.

Molecular Properties

Compound Name(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium
PubChem CID71338968
Molecular FormulaC5H10ClNO3P+
Molecular Weight198.57 g/mol
Exact Mass198.01
IUPAC Name(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium
SMILESCCOC[P+](=O)ON=C(C)Cl
InChIInChI=1S/C5H10ClNO3P/c1-3-9-4-11(8)10-7-5(2)6/h3-4H2,1-2H3/q+1
InChIKeyBXDJMKNZWCOKMO-UHFFFAOYSA-N
XLogP2.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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

(1Z)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 13547845
N-(diethoxyphosphoryloxy)ethanimidoylchloride
CID 85552833
N-(isobutoxymethylphosphoryloxy)ethanimidoylchloride
CID 129780606
(1Z)-N-[chloro(propoxy)phosphoryl]oxyethanimidoyl chloride
CID 134985125
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
(1E)-2-diethoxyphosphoryl-N-hydroxyethanimidoyl chloride
CID 11746424
N-[chloro(ethoxy)phosphoryl]oxyethanimidoyl chloride
CID 23417981

Frequently Asked Questions

What is the IUPAC name of (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium?
The IUPAC name of (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium (CID 71338968) is (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium.
What is the SMILES notation for (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium?
The canonical SMILES for (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium is CCOC[P+](=O)ON=C(C)Cl.
What is the InChIKey of (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium?
The InChIKey is BXDJMKNZWCOKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClNO3P/c1-3-9-4-11(8)10-7-5(2)6/h3-4H2,1-2H3/q+1.
What are the key properties of (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium?
(1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium has a molecular weight of 198.57 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloroethylideneamino)oxy-(ethoxymethyl)-oxophosphanium is sourced from PubChem (CID 71338968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).