methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate

C14H11NO4 — CID 46873555

IUPACmethyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H11NO4/c1-7-10(13(16)18-2)11-8-5-3-4-6-9(8)19-14(17)12(11)15-7/h3-6,15H,1-2H3
InChIKeyFWGLOZKWRQBQPP-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.37
Rot. Bonds1

About methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate

methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate (PubChem CID 46873555) has the molecular formula C14H11NO4 and a molecular weight of 257.24 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
PubChem CID46873555
Molecular FormulaC14H11NO4
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate
SMILESCOC(=O)c1c(C)[nH]c2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H11NO4/c1-7-10(13(16)18-2)11-8-5-3-4-6-9(8)19-14(17)12(11)15-7/h3-6,15H,1-2H3
InChIKeyFWGLOZKWRQBQPP-UHFFFAOYSA-N
XLogP2.37
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

dimethyl dibenzofuran-1,2-dicarboxylate
CID 18366725
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
dimethyl 9-hydroxy-6-oxo-7-(trifluoromethyl)benzo[c]chromene-8,10-dicarboxylate
CID 54768421
2-aminodibenzofuran-1-carboxylic acid;methyl 2-aminodibenzofuran-1-carboxylate
CID 158161401
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
CID 53377063
dimethyl 1-oxoisochromene-3,4-dicarboxylate
CID 642350
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
CID 102039945
methyl 2-(carbamoylamino)-1-benzofuran-3-carboxylate
CID 122490038
methyl 2,5-dimethyl-4-(4-phenylphenyl)-1H-pyrrole-3-carboxylate
CID 23030382
methyl 4,6-difluoro-7-methoxy-2-methyl-1H-indole-3-carboxylate
CID 170903598

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate (CID 46873555) is methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate is COC(=O)c1c(C)[nH]c2c(=O)oc3ccccc3c12.
What is the InChIKey of methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate?
The InChIKey is FWGLOZKWRQBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-7-10(13(16)18-2)11-8-5-3-4-6-9(8)19-14(17)12(11)15-7/h3-6,15H,1-2H3.
What are the key properties of methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate?
methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate has a molecular weight of 257.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-3H-chromeno[3,4-b]pyrrole-1-carboxylate is sourced from PubChem (CID 46873555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).