4,6-diethyl-7-(ethylamino)chromen-2-one

C15H19NO2 — CID 22476791

IUPAC4,6-diethyl-7-(ethylamino)chromen-2-one
SMILESCCNc1cc2oc(=O)cc(CC)c2cc1CC
InChIInChI=1S/C15H19NO2/c1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9,16H,4-6H2,1-3H3
InChIKeyIMAIAZQPQINLPR-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.35
Rot. Bonds4

About 4,6-diethyl-7-(ethylamino)chromen-2-one

4,6-diethyl-7-(ethylamino)chromen-2-one (PubChem CID 22476791) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4,6-diethyl-7-(ethylamino)chromen-2-one.

Molecular Properties

Compound Name4,6-diethyl-7-(ethylamino)chromen-2-one
PubChem CID22476791
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4,6-diethyl-7-(ethylamino)chromen-2-one
SMILESCCNc1cc2oc(=O)cc(CC)c2cc1CC
InChIInChI=1S/C15H19NO2/c1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9,16H,4-6H2,1-3H3
InChIKeyIMAIAZQPQINLPR-UHFFFAOYSA-N
XLogP3.35
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-7-(ethylamino)chromen-2-one?
The IUPAC name of 4,6-diethyl-7-(ethylamino)chromen-2-one (CID 22476791) is 4,6-diethyl-7-(ethylamino)chromen-2-one.
What is the SMILES notation for 4,6-diethyl-7-(ethylamino)chromen-2-one?
The canonical SMILES for 4,6-diethyl-7-(ethylamino)chromen-2-one is CCNc1cc2oc(=O)cc(CC)c2cc1CC.
What is the InChIKey of 4,6-diethyl-7-(ethylamino)chromen-2-one?
The InChIKey is IMAIAZQPQINLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-10-8-15(17)18-14-9-13(16-6-3)11(5-2)7-12(10)14/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 4,6-diethyl-7-(ethylamino)chromen-2-one?
4,6-diethyl-7-(ethylamino)chromen-2-one has a molecular weight of 245.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-7-(ethylamino)chromen-2-one is sourced from PubChem (CID 22476791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).