7-(diethylamino)-6-thiophen-2-ylchromen-2-one

C17H17NO2S — CID 56594613

IUPAC7-(diethylamino)-6-thiophen-2-ylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1
InChIInChI=1S/C17H17NO2S/c1-3-18(4-2)14-11-15-12(7-8-17(19)20-15)10-13(14)16-6-5-9-21-16/h5-11H,3-4H2,1-2H3
InChIKeyBQMLGBPDJRGQQC-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.37
Rot. Bonds4

About 7-(diethylamino)-6-thiophen-2-ylchromen-2-one

7-(diethylamino)-6-thiophen-2-ylchromen-2-one (PubChem CID 56594613) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 7-(diethylamino)-6-thiophen-2-ylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-6-thiophen-2-ylchromen-2-one
PubChem CID56594613
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name7-(diethylamino)-6-thiophen-2-ylchromen-2-one
SMILESCCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1
InChIInChI=1S/C17H17NO2S/c1-3-18(4-2)14-11-15-12(7-8-17(19)20-15)10-13(14)16-6-5-9-21-16/h5-11H,3-4H2,1-2H3
InChIKeyBQMLGBPDJRGQQC-UHFFFAOYSA-N
XLogP4.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.37
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)-6-thiophen-2-ylchromen-2-one?
The IUPAC name of 7-(diethylamino)-6-thiophen-2-ylchromen-2-one (CID 56594613) is 7-(diethylamino)-6-thiophen-2-ylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-6-thiophen-2-ylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-6-thiophen-2-ylchromen-2-one is CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1.
What is the InChIKey of 7-(diethylamino)-6-thiophen-2-ylchromen-2-one?
The InChIKey is BQMLGBPDJRGQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-18(4-2)14-11-15-12(7-8-17(19)20-15)10-13(14)16-6-5-9-21-16/h5-11H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-6-thiophen-2-ylchromen-2-one?
7-(diethylamino)-6-thiophen-2-ylchromen-2-one has a molecular weight of 299.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-6-thiophen-2-ylchromen-2-one is sourced from PubChem (CID 56594613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).