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'}

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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).