(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium

C10H20N3O2+ — CID 135542462

IUPAC(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium
SMILESCCOC(=O)C(=[N+]=[N-])[N+](CC)(CC)CC
InChIInChI=1S/C10H20N3O2/c1-5-13(6-2,7-3)9(12-11)10(14)15-8-4/h5-8H2,1-4H3/q+1
InChIKeyARXHYOMLPCPOMK-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.05
Rot. Bonds4

About (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium

(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium (PubChem CID 135542462) has the molecular formula C10H20N3O2+ and a molecular weight of 214.29 g/mol. Its IUPAC name is (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium.

Molecular Properties

Compound Name(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium
PubChem CID135542462
Molecular FormulaC10H20N3O2+
Molecular Weight214.29 g/mol
Exact Mass214.16
IUPAC Name(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium
SMILESCCOC(=O)C(=[N+]=[N-])[N+](CC)(CC)CC
InChIInChI=1S/C10H20N3O2/c1-5-13(6-2,7-3)9(12-11)10(14)15-8-4/h5-8H2,1-4H3/q+1
InChIKeyARXHYOMLPCPOMK-UHFFFAOYSA-N
XLogP1.05
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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ethyl 2-diazobut-3-enoate
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ethyl 4-chloro-2-diazo-3-oxobutanoate
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ethyl hydrogen carbonate;sulfane
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ethyl 2-diazo-3-(methoxyamino)-3-oxopropanoate
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ethyl (Z)-2-hydroxy-3-sulfanylprop-2-enoate
CID 90233664
ethyl 2-diazoundecanoate
CID 85177216
ethyl (NE)-N-ethoxycarbonyliminocarbamate
CID 5462977
ethyl 3-(dimethylamino)-2-methoxyprop-2-enoate
CID 142611007
ethyl 2-oxo(213C)propanoate
CID 71309469
diethyl 2,5-dihydroxyhexa-2,4-dienedioate
CID 54729640
ethyl 2-diazo-4,4,6,6-tetramethyl-3-oxoheptanoate
CID 136635269

Frequently Asked Questions

What is the IUPAC name of (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium?
The IUPAC name of (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium (CID 135542462) is (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium.
What is the SMILES notation for (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium?
The canonical SMILES for (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium is CCOC(=O)C(=[N+]=[N-])[N+](CC)(CC)CC.
What is the InChIKey of (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium?
The InChIKey is ARXHYOMLPCPOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N3O2/c1-5-13(6-2,7-3)9(12-11)10(14)15-8-4/h5-8H2,1-4H3/q+1.
What are the key properties of (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium?
(1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium has a molecular weight of 214.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-diazo-2-ethoxy-2-oxoethyl)-triethylazanium is sourced from PubChem (CID 135542462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).