ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate

C17H17NO5 — CID 11001565

IUPACethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C(C)=O)c(-c2ccccc2)c1OC(C)=O
InChIInChI=1S/C17H17NO5/c1-4-22-17(21)14-10-18(11(2)19)15(16(14)23-12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyQWKNRQMWKRLQPM-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.92
Rot. Bonds4

About ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate

ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate (PubChem CID 11001565) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate
PubChem CID11001565
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Nameethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cn(C(C)=O)c(-c2ccccc2)c1OC(C)=O
InChIInChI=1S/C17H17NO5/c1-4-22-17(21)14-10-18(11(2)19)15(16(14)23-12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3
InChIKeyQWKNRQMWKRLQPM-UHFFFAOYSA-N
XLogP2.92
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-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 1-acetyl-4-methyl-5-phenylpyrrole-3-carboxylate
CID 4680387
ethyl 4-acetyloxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 14569474
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 4-[3-acetyloxy-2-hydroxy-4-(4-methoxybenzoyl)-5-phenylpyrrol-1-yl]benzoate
CID 90699805
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
diethyl 4-acetyloxyquinoline-2,3-dicarboxylate
CID 132505447
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethyl 1-(furan-2-carbonyl)indole-3-carboxylate
CID 171982276
ethyl 2-acetyloxybenzoate;pyridine
CID 174842838
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate (CID 11001565) is ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate is CCOC(=O)c1cn(C(C)=O)c(-c2ccccc2)c1OC(C)=O.
What is the InChIKey of ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate?
The InChIKey is QWKNRQMWKRLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-4-22-17(21)14-10-18(11(2)19)15(16(14)23-12(3)20)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate?
ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyl-4-acetyloxy-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 11001565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).