7-(diethylamino)-4-hydroxychromen-2-one

C13H15NO3 — CID 54680650

IUPAC7-(diethylamino)-4-hydroxychromen-2-one
SMILESCCN(CC)c1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C13H15NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-8,15H,3-4H2,1-2H3
InChIKeyXTPBPGPAPLKZGO-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds3

About 7-(diethylamino)-4-hydroxychromen-2-one

7-(diethylamino)-4-hydroxychromen-2-one (PubChem CID 54680650) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 7-(diethylamino)-4-hydroxychromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-4-hydroxychromen-2-one
PubChem CID54680650
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name7-(diethylamino)-4-hydroxychromen-2-one
SMILESCCN(CC)c1ccc2c(O)cc(=O)oc2c1
InChIInChI=1S/C13H15NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-8,15H,3-4H2,1-2H3
InChIKeyXTPBPGPAPLKZGO-UHFFFAOYSA-N
XLogP2.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-4-hydroxychromen-2-one?
The IUPAC name of 7-(diethylamino)-4-hydroxychromen-2-one (CID 54680650) is 7-(diethylamino)-4-hydroxychromen-2-one.
What is the SMILES notation for 7-(diethylamino)-4-hydroxychromen-2-one?
The canonical SMILES for 7-(diethylamino)-4-hydroxychromen-2-one is CCN(CC)c1ccc2c(O)cc(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-4-hydroxychromen-2-one?
The InChIKey is XTPBPGPAPLKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-14(4-2)9-5-6-10-11(15)8-13(16)17-12(10)7-9/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-4-hydroxychromen-2-one?
7-(diethylamino)-4-hydroxychromen-2-one has a molecular weight of 233.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-4-hydroxychromen-2-one is sourced from PubChem (CID 54680650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).