sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid

C14H20NNaO6S — CID 174050797

IUPACsodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
SMILESCCN(CC)c1ccc2c(C)cc(=O)oc2c1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H17NO2.Na.H2O4S.H/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;;1-5(2,3)4;/h6-9H,4-5H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyVEXCIRQLSIHDJS-UHFFFAOYSA-N
MW353.37 g/mol
LogP-0.59
Rot. Bonds3

About sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid

sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid (PubChem CID 174050797) has the molecular formula C14H20NNaO6S and a molecular weight of 353.37 g/mol. Its IUPAC name is sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid.

Molecular Properties

Compound Namesodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
PubChem CID174050797
Molecular FormulaC14H20NNaO6S
Molecular Weight353.37 g/mol
Exact Mass353.09
IUPAC Namesodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
SMILESCCN(CC)c1ccc2c(C)cc(=O)oc2c1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C14H17NO2.Na.H2O4S.H/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;;1-5(2,3)4;/h6-9H,4-5H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyVEXCIRQLSIHDJS-UHFFFAOYSA-N
XLogP-0.59
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
7-hydroxy-4-methylchromen-2-one;sulfuric acid
CID 87147508
4-azido-7-(diethylamino)chromen-2-one
CID 91426340
7-(diethylamino)-4-(5-hydroxy-1,3-dioxan-2-yl)chromen-2-one
CID 154718163
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
sodium;hydride;7-hydroxy-4-methylchromen-2-one
CID 172995509
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
7-hydroxy-4-methylchromen-2-one;methanesulfonic acid
CID 88677960
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705

Frequently Asked Questions

What is the IUPAC name of sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid?
The IUPAC name of sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid (CID 174050797) is sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid.
What is the SMILES notation for sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid?
The canonical SMILES for sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid is CCN(CC)c1ccc2c(C)cc(=O)oc2c1.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid?
The InChIKey is VEXCIRQLSIHDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.Na.H2O4S.H/c1-4-15(5-2)11-6-7-12-10(3)8-14(16)17-13(12)9-11;;1-5(2,3)4;/h6-9H,4-5H2,1-3H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid?
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid has a molecular weight of 353.37 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid is sourced from PubChem (CID 174050797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).