CID 162065395

C5H11NNaO3P+ — CID 162065395

IUPAC—
SMILESCCON=C(C)O[P+](C)=O.[Na]
InChIInChI=1S/C5H11NO3P.Na/c1-4-8-6-5(2)9-10(3)7;/h4H2,1-3H3;/q+1;
InChIKeyBOFHIRUMGGUMEO-UHFFFAOYSA-N
MW187.11 g/mol
LogP1.36
Rot. Bonds3

About CID 162065395

CID 162065395 (PubChem CID 162065395) has the molecular formula C5H11NNaO3P+ and a molecular weight of 187.11 g/mol.

Molecular Properties

Compound NameCID 162065395
PubChem CID162065395
Molecular FormulaC5H11NNaO3P+
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name—
SMILESCCON=C(C)O[P+](C)=O.[Na]
InChIInChI=1S/C5H11NO3P.Na/c1-4-8-6-5(2)9-10(3)7;/h4H2,1-3H3;/q+1;
InChIKeyBOFHIRUMGGUMEO-UHFFFAOYSA-N
XLogP1.36
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 162065395 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl N-hydroxyethanimidoylphosphonate
CID 9568507
(1Z)-N-[ethoxy(methyl)phosphoryl]oxyethanimidoyl chloride
CID 134985126
(NZ)-N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 5464780
N-(1-diethoxyphosphorylethylidene)hydroxylamine
CID 272988
sodium [(2Z)-2-ethoxyiminopropyl]-oxido-oxophosphanium
CID 87188057
[(Z)-N-ethoxy-C-methylcarbonimidoyl]oxy-methyl-oxophosphanium
CID 88729435
sodium (N-methoxy-C-methylcarbonimidoyl)-methylphosphinate
CID 140336388
(E)-1-dimethoxyphosphoryl-N-methoxyethanimine
CID 145806581
(N-ethoxy-C-methylcarbonimidoyl)oxy-methyl-oxophosphanium
CID 162065396
CID 172814816
CID 172814816
Sodium 2-ethoxyiminopropyl-oxido-oxophosphanium
CID 173027226
sodium;hydride;(N-hydroxy-C-methylcarbonimidoyl)-methoxy-oxophosphanium
CID 173083172

Frequently Asked Questions

What is the IUPAC name of CID 162065395?
The IUPAC name of CID 162065395 (CID 162065395) is not available.
What is the SMILES notation for CID 162065395?
The canonical SMILES for CID 162065395 is CCON=C(C)O[P+](C)=O.[Na].
What is the InChIKey of CID 162065395?
The InChIKey is BOFHIRUMGGUMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3P.Na/c1-4-8-6-5(2)9-10(3)7;/h4H2,1-3H3;/q+1;.
What are the key properties of CID 162065395?
CID 162065395 has a molecular weight of 187.11 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162065395 is sourced from PubChem (CID 162065395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).