7-[ethyl(methyl)amino]-4-methylchromen-2-one

C13H15NO2 — CID 142927379

IUPAC7-[ethyl(methyl)amino]-4-methylchromen-2-one
SMILESCCN(C)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C13H15NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-8H,4H2,1-3H3
InChIKeyCXYJEBBBCUSWFG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.56
Rot. Bonds2

About 7-[ethyl(methyl)amino]-4-methylchromen-2-one

7-[ethyl(methyl)amino]-4-methylchromen-2-one (PubChem CID 142927379) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-[ethyl(methyl)amino]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[ethyl(methyl)amino]-4-methylchromen-2-one
PubChem CID142927379
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7-[ethyl(methyl)amino]-4-methylchromen-2-one
SMILESCCN(C)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C13H15NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-8H,4H2,1-3H3
InChIKeyCXYJEBBBCUSWFG-UHFFFAOYSA-N
XLogP2.56
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[ethyl(methyl)amino]-4-methylchromen-2-one 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

7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
7-[6-hydroxyhexyl(methyl)amino]-4-methylchromen-2-one
CID 139664069
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-[ethyl(methyl)amino]chromen-2-one
CID 154538334
7-ethyl-4-methylchromen-2-one
CID 5160585
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
CID 89064299
CID 89064299
4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
4-methyl-7-nitrosochromen-2-one
CID 122373464

Frequently Asked Questions

What is the IUPAC name of 7-[ethyl(methyl)amino]-4-methylchromen-2-one?
The IUPAC name of 7-[ethyl(methyl)amino]-4-methylchromen-2-one (CID 142927379) is 7-[ethyl(methyl)amino]-4-methylchromen-2-one.
What is the SMILES notation for 7-[ethyl(methyl)amino]-4-methylchromen-2-one?
The canonical SMILES for 7-[ethyl(methyl)amino]-4-methylchromen-2-one is CCN(C)c1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 7-[ethyl(methyl)amino]-4-methylchromen-2-one?
The InChIKey is CXYJEBBBCUSWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-14(3)10-5-6-11-9(2)7-13(15)16-12(11)8-10/h5-8H,4H2,1-3H3.
What are the key properties of 7-[ethyl(methyl)amino]-4-methylchromen-2-one?
7-[ethyl(methyl)amino]-4-methylchromen-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethyl(methyl)amino]-4-methylchromen-2-one is sourced from PubChem (CID 142927379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).