methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate

C17H18N2O4 — CID 168693437

IUPACmethyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(OC)ccc2-n2cccc2)C1
InChIInChI=1S/C17H18N2O4/c1-22-13-5-6-14(18-7-3-4-8-18)15(10-13)19-11-12(9-16(19)20)17(21)23-2/h3-8,10,12H,9,11H2,1-2H3
InChIKeyDZHGJRKHKIJNKI-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.01
Rot. Bonds4

About methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693437) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693437
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2cc(OC)ccc2-n2cccc2)C1
InChIInChI=1S/C17H18N2O4/c1-22-13-5-6-14(18-7-3-4-8-18)15(10-13)19-11-12(9-16(19)20)17(21)23-2/h3-8,10,12H,9,11H2,1-2H3
InChIKeyDZHGJRKHKIJNKI-UHFFFAOYSA-N
XLogP2.01
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(5-methoxy-2-pyrrol-1-ylphenyl)pyrrolidin-2-one
CID 168702287
methyl 1-(5-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693752
methyl 1-(4-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693419
methyl 1-[(3R)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9396744
methyl (3R)-1-(5-amino-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075968
methyl 5-oxo-1-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylate
CID 50879609
methyl 1-(2-iodophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694888
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(2-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694855
methyl 1-(5-fluoro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693467
methyl 1-(5-bromo-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693461

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 168693437) is methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2cc(OC)ccc2-n2cccc2)C1.
What is the InChIKey of methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DZHGJRKHKIJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-13-5-6-14(18-7-3-4-8-18)15(10-13)19-11-12(9-16(19)20)17(21)23-2/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methoxy-2-pyrrol-1-ylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).