7-(diethylamino)-3-(dimethylamino)chromen-2-one

C15H20N2O2 — CID 71412900

IUPAC7-(diethylamino)-3-(dimethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(N(C)C)c(=O)oc2c1
InChIInChI=1S/C15H20N2O2/c1-5-17(6-2)12-8-7-11-9-13(16(3)4)15(18)19-14(11)10-12/h7-10H,5-6H2,1-4H3
InChIKeyWTNHGZWKXNGVST-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.71
Rot. Bonds4

About 7-(diethylamino)-3-(dimethylamino)chromen-2-one

7-(diethylamino)-3-(dimethylamino)chromen-2-one (PubChem CID 71412900) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 7-(diethylamino)-3-(dimethylamino)chromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(dimethylamino)chromen-2-one
PubChem CID71412900
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name7-(diethylamino)-3-(dimethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(N(C)C)c(=O)oc2c1
InChIInChI=1S/C15H20N2O2/c1-5-17(6-2)12-8-7-11-9-13(16(3)4)15(18)19-14(11)10-12/h7-10H,5-6H2,1-4H3
InChIKeyWTNHGZWKXNGVST-UHFFFAOYSA-N
XLogP2.71
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
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)-3-(dimethylamino)chromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(dimethylamino)chromen-2-one (CID 71412900) is 7-(diethylamino)-3-(dimethylamino)chromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(dimethylamino)chromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(dimethylamino)chromen-2-one is CCN(CC)c1ccc2cc(N(C)C)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(dimethylamino)chromen-2-one?
The InChIKey is WTNHGZWKXNGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-17(6-2)12-8-7-11-9-13(16(3)4)15(18)19-14(11)10-12/h7-10H,5-6H2,1-4H3.
What are the key properties of 7-(diethylamino)-3-(dimethylamino)chromen-2-one?
7-(diethylamino)-3-(dimethylamino)chromen-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(dimethylamino)chromen-2-one is sourced from PubChem (CID 71412900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).