[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride

C9H21ClN3O2P — CID 135410023

IUPAC[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride
SMILESCC[P+](CC)(CC)C/C(=N/O)NC(N)=O.[Cl-]
InChIInChI=1S/C9H20N3O2P.ClH/c1-4-15(5-2,6-3)7-8(12-14)11-9(10)13;/h4-7H2,1-3H3,(H3-,10,11,12,13,14);1H
InChIKeyHPRXVQHGRJJDDL-UHFFFAOYSA-N
MW269.71 g/mol
LogP-1.48
Rot. Bonds5

About [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride

[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride (PubChem CID 135410023) has the molecular formula C9H21ClN3O2P and a molecular weight of 269.71 g/mol. Its IUPAC name is [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride.

Molecular Properties

Compound Name[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride
PubChem CID135410023
Molecular FormulaC9H21ClN3O2P
Molecular Weight269.71 g/mol
Exact Mass269.11
IUPAC Name[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride
SMILESCC[P+](CC)(CC)C/C(=N/O)NC(N)=O.[Cl-]
InChIInChI=1S/C9H20N3O2P.ClH/c1-4-15(5-2,6-3)7-8(12-14)11-9(10)13;/h4-7H2,1-3H3,(H3-,10,11,12,13,14);1H
InChIKeyHPRXVQHGRJJDDL-UHFFFAOYSA-N
XLogP-1.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

carbamoylurea;propane-1,1-diol
CID 174530984
1-(1-amino-1-hydroxyiminopentan-3-yl)-3-propan-2-ylurea
CID 76947908
(2R)-2-bromo-N-carbamoyl-3-ethylpentanamide
CID 2402100
3-[(1-amino-1-hydroxyiminopentan-3-yl)amino]-2,2-dimethylpropanamide
CID 106277761
N-(1-amino-1-hydroxyiminopentan-3-yl)-2,2-dimethylbutanamide
CID 76953621
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
CID 76934679
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
but-1-ene;carbamoylurea
CID 174833277
3-ethyl-2-oxopentanamide
CID 21120726
N-(4-amino-4-hydroxyiminobutan-2-yl)propanamide
CID 76934536
N-(1-amino-1-hydroxyiminobutan-2-yl)-2,2-dimethylbutanamide
CID 76953566
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
CID 104873798

Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride?
The IUPAC name of [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride (CID 135410023) is [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride.
What is the SMILES notation for [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride?
The canonical SMILES for [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride is CC[P+](CC)(CC)C/C(=N/O)NC(N)=O.[Cl-].
What is the InChIKey of [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride?
The InChIKey is HPRXVQHGRJJDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N3O2P.ClH/c1-4-15(5-2,6-3)7-8(12-14)11-9(10)13;/h4-7H2,1-3H3,(H3-,10,11,12,13,14);1H.
What are the key properties of [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride?
[(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride has a molecular weight of 269.71 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-(carbamoylamino)-2-hydroxyiminoethyl]-triethylphosphanium chloride is sourced from PubChem (CID 135410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).