7-(diethylamino)-4,6-dimethylchromen-2-one

C15H19NO2 — CID 11736705

IUPAC7-(diethylamino)-4,6-dimethylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)cc(C)c2cc1C
InChIInChI=1S/C15H19NO2/c1-5-16(6-2)13-9-14-12(7-11(13)4)10(3)8-15(17)18-14/h7-9H,5-6H2,1-4H3
InChIKeyLCSNPEIXPRTDCL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.26
Rot. Bonds3

About 7-(diethylamino)-4,6-dimethylchromen-2-one

7-(diethylamino)-4,6-dimethylchromen-2-one (PubChem CID 11736705) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-(diethylamino)-4,6-dimethylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4,6-dimethylchromen-2-one
PubChem CID11736705
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name7-(diethylamino)-4,6-dimethylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)cc(C)c2cc1C
InChIInChI=1S/C15H19NO2/c1-5-16(6-2)13-9-14-12(7-11(13)4)10(3)8-15(17)18-14/h7-9H,5-6H2,1-4H3
InChIKeyLCSNPEIXPRTDCL-UHFFFAOYSA-N
XLogP3.26
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.26
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

7-[[3-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]-5-(hydroxymethyl)phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
CID 100991403
7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
CID 101055832
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-ethyl-4-methylchromen-2-one
CID 5160585
6-(dihydroxyamino)-4-methyl-2-oxochromen-7-olate
CID 20831207
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
6,7-bis(2-chloroethyl)-4-methylchromen-2-one
CID 19392047
6,7-bis(2-hydroxyethyl)-4-methylchromen-2-one
CID 19392051

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4,6-dimethylchromen-2-one?
The IUPAC name of 7-(diethylamino)-4,6-dimethylchromen-2-one (CID 11736705) is 7-(diethylamino)-4,6-dimethylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4,6-dimethylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-4,6-dimethylchromen-2-one is CCN(CC)c1cc2oc(=O)cc(C)c2cc1C.
What is the InChIKey of 7-(diethylamino)-4,6-dimethylchromen-2-one?
The InChIKey is LCSNPEIXPRTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-5-16(6-2)13-9-14-12(7-11(13)4)10(3)8-15(17)18-14/h7-9H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-4,6-dimethylchromen-2-one?
7-(diethylamino)-4,6-dimethylchromen-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4,6-dimethylchromen-2-one is sourced from PubChem (CID 11736705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).