6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one

C21H21NO2 — CID 56945191

IUPAC6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESCc1cc2oc(-c3ccc(N4CCCC4)cc3)cc(=O)c2cc1C
InChIInChI=1S/C21H21NO2/c1-14-11-18-19(23)13-20(24-21(18)12-15(14)2)16-5-7-17(8-6-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyIIEIEVRMIRMFFP-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.68
Rot. Bonds2

About 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one

6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one (PubChem CID 56945191) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
PubChem CID56945191
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one
SMILESCc1cc2oc(-c3ccc(N4CCCC4)cc3)cc(=O)c2cc1C
InChIInChI=1S/C21H21NO2/c1-14-11-18-19(23)13-20(24-21(18)12-15(14)2)16-5-7-17(8-6-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3
InChIKeyIIEIEVRMIRMFFP-UHFFFAOYSA-N
XLogP4.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-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 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The IUPAC name of 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one (CID 56945191) is 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one is Cc1cc2oc(-c3ccc(N4CCCC4)cc3)cc(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
The InChIKey is IIEIEVRMIRMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-14-11-18-19(23)13-20(24-21(18)12-15(14)2)16-5-7-17(8-6-16)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one?
6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one has a molecular weight of 319.40 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(4-pyrrolidin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 56945191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).