8-(dibutylamino)chromen-2-one

C17H23NO2 — CID 170160199

IUPAC8-(dibutylamino)chromen-2-one
SMILESCCCCN(CCCC)c1cccc2ccc(=O)oc12
InChIInChI=1S/C17H23NO2/c1-3-5-12-18(13-6-4-2)15-9-7-8-14-10-11-16(19)20-17(14)15/h7-11H,3-6,12-13H2,1-2H3
InChIKeyQESKOSOZPWTYQQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.20
Rot. Bonds7

About 8-(dibutylamino)chromen-2-one

8-(dibutylamino)chromen-2-one (PubChem CID 170160199) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 8-(dibutylamino)chromen-2-one.

Molecular Properties

Compound Name8-(dibutylamino)chromen-2-one
PubChem CID170160199
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name8-(dibutylamino)chromen-2-one
SMILESCCCCN(CCCC)c1cccc2ccc(=O)oc12
InChIInChI=1S/C17H23NO2/c1-3-5-12-18(13-6-4-2)15-9-7-8-14-10-11-16(19)20-17(14)15/h7-11H,3-6,12-13H2,1-2H3
InChIKeyQESKOSOZPWTYQQ-UHFFFAOYSA-N
XLogP4.20
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-(dibutylamino)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(dibutylamino)chromen-2-one?
The IUPAC name of 8-(dibutylamino)chromen-2-one (CID 170160199) is 8-(dibutylamino)chromen-2-one.
What is the SMILES notation for 8-(dibutylamino)chromen-2-one?
The canonical SMILES for 8-(dibutylamino)chromen-2-one is CCCCN(CCCC)c1cccc2ccc(=O)oc12.
What is the InChIKey of 8-(dibutylamino)chromen-2-one?
The InChIKey is QESKOSOZPWTYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-12-18(13-6-4-2)15-9-7-8-14-10-11-16(19)20-17(14)15/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of 8-(dibutylamino)chromen-2-one?
8-(dibutylamino)chromen-2-one has a molecular weight of 273.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dibutylamino)chromen-2-one is sourced from PubChem (CID 170160199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).