potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide

C13H15KN2O2 — CID 155716771

IUPACpotassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
SMILESCN(C)c1ccc2c(CC[NH-])cc(=O)oc2c1.[K+]
InChIInChI=1S/C13H15N2O2.K/c1-15(2)10-3-4-11-9(5-6-14)7-13(16)17-12(11)8-10;/h3-4,7-8,14H,5-6H2,1-2H3;/q-1;+1
InChIKeyMCQYCQDMJYYKCU-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.54
Rot. Bonds3

About potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide

potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide (PubChem CID 155716771) has the molecular formula C13H15KN2O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide.

Molecular Properties

Compound Namepotassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
PubChem CID155716771
Molecular FormulaC13H15KN2O2
Molecular Weight270.37 g/mol
Exact Mass270.08
IUPAC Namepotassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide
SMILESCN(C)c1ccc2c(CC[NH-])cc(=O)oc2c1.[K+]
InChIInChI=1S/C13H15N2O2.K/c1-15(2)10-3-4-11-9(5-6-14)7-13(16)17-12(11)8-10;/h3-4,7-8,14H,5-6H2,1-2H3;/q-1;+1
InChIKeyMCQYCQDMJYYKCU-UHFFFAOYSA-N
XLogP-0.54
TPSA57.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
CID 2762622
7-(dimethylamino)-4-(2-methylpropyl)chromen-2-one
CID 88684463
methyl 4-[7-(dimethylamino)-2-oxochromen-4-yl]butanoate
CID 15290788
7-(dimethylamino)-4-(2-oxopropyl)chromen-2-one;2-iodopropane
CID 160633927
prop-2-ynyl 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate
CID 87406865
7-(dimethylamino)-2-oxochromene-4-carboxylic acid
CID 46190449
N-[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]ethyl]-3-phenylpropanamide
CID 71665698
7-(dimethylamino)-4-pyridin-4-ylchromen-2-one
CID 166063810
7-(dimethylamino)-4-(prop-2-ynylamino)chromen-2-one
CID 87407567
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
(2R)-2-[[2-[[2-[7-(dimethylamino)-2-oxochromen-4-yl]acetyl]amino]acetyl]-methylamino]-4-methylpentanamide
CID 89378065
3-(dimethylamino)-6-(methylamino)xanthen-9-one
CID 122490895

Frequently Asked Questions

What is the IUPAC name of potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide?
The IUPAC name of potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide (CID 155716771) is potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide.
What is the SMILES notation for potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide?
The canonical SMILES for potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide is CN(C)c1ccc2c(CC[NH-])cc(=O)oc2c1.[K+].
What is the InChIKey of potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide?
The InChIKey is MCQYCQDMJYYKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O2.K/c1-15(2)10-3-4-11-9(5-6-14)7-13(16)17-12(11)8-10;/h3-4,7-8,14H,5-6H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide?
potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide has a molecular weight of 270.37 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[7-(dimethylamino)-2-oxochromen-4-yl]ethylazanide is sourced from PubChem (CID 155716771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).