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

C20H15NO4 — CID 53377063

IUPACethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1-c1ccccc1)c(=O)oc1ccccc12
InChIInChI=1S/C20H15NO4/c1-2-24-20(23)18-15(12-8-4-3-5-9-12)16-17(21-18)13-10-6-7-11-14(13)25-19(16)22/h3-11,21H,2H2,1H3
InChIKeyFPOJDCNFTKGASP-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.12
Rot. Bonds3

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

ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate (PubChem CID 53377063) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
PubChem CID53377063
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Nameethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(c1-c1ccccc1)c(=O)oc1ccccc12
InChIInChI=1S/C20H15NO4/c1-2-24-20(23)18-15(12-8-4-3-5-9-12)16-17(21-18)13-10-6-7-11-14(13)25-19(16)22/h3-11,21H,2H2,1H3
InChIKeyFPOJDCNFTKGASP-UHFFFAOYSA-N
XLogP4.12
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-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

ethyl 4-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1H-pyrrole-3-carboxylate
CID 146163882
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 4-tert-butyl-3-phenyl-1H-indole-2-carboxylate
CID 69353100
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
ethyl 2-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)-2,5-diphenyl-1,3-dihydropyrrole-4-carboxylate
CID 146163793
ethyl 1-methyl-3-oxo-[1]benzofuro[3,2-f]chromene-2-carboxylate
CID 11594938
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
ethyl 6-chloro-4-oxo-3-phenyl-1,9-dihydropyrrolo[2,3-b]quinoline-2-carboxylate
CID 164681090
6-O-ethyl 7-O-methyl 2-oxo-3,4-diphenylchromene-6,7-dicarboxylate
CID 134912171
3-acetyl-4-phenylchromen-2-one
CID 56965161
ethyl 3,12-dioxopyrano[3,2-a]xanthene-2-carboxylate
CID 102107921
ethyl dibenzofuran-1-carboxylate
CID 11858911

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate (CID 53377063) is ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate is CCOC(=O)c1[nH]c2c(c1-c1ccccc1)c(=O)oc1ccccc12.
What is the InChIKey of ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate?
The InChIKey is FPOJDCNFTKGASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-2-24-20(23)18-15(12-8-4-3-5-9-12)16-17(21-18)13-10-6-7-11-14(13)25-19(16)22/h3-11,21H,2H2,1H3.
What are the key properties of ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate?
ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate has a molecular weight of 333.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-phenyl-1H-chromeno[4,3-b]pyrrole-2-carboxylate is sourced from PubChem (CID 53377063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).