7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one

C16H15NO2 — CID 102278578

IUPAC7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(-n3c(C)ccc3C)ccc12
InChIInChI=1S/C16H15NO2/c1-10-8-16(18)19-15-9-13(6-7-14(10)15)17-11(2)4-5-12(17)3/h4-9H,1-3H3
InChIKeyRFKOEWOFYNOUPU-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.51
Rot. Bonds1

About 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one

7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one (PubChem CID 102278578) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
PubChem CID102278578
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(-n3c(C)ccc3C)ccc12
InChIInChI=1S/C16H15NO2/c1-10-8-16(18)19-15-9-13(6-7-14(10)15)17-11(2)4-5-12(17)3/h4-9H,1-3H3
InChIKeyRFKOEWOFYNOUPU-UHFFFAOYSA-N
XLogP3.51
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-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 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one?
The IUPAC name of 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one (CID 102278578) is 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one.
What is the SMILES notation for 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one?
The canonical SMILES for 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one is Cc1cc(=O)oc2cc(-n3c(C)ccc3C)ccc12.
What is the InChIKey of 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one?
The InChIKey is RFKOEWOFYNOUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-10-8-16(18)19-15-9-13(6-7-14(10)15)17-11(2)4-5-12(17)3/h4-9H,1-3H3.
What are the key properties of 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one?
7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one has a molecular weight of 253.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylpyrrol-1-yl)-4-methylchromen-2-one is sourced from PubChem (CID 102278578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).