methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate

C23H21NO4 — CID 58828883

IUPACmethyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(-c3ccc(OC)c4ccccc34)cc2)C1
InChIInChI=1S/C23H21NO4/c1-27-21-12-11-18(19-5-3-4-6-20(19)21)15-7-9-17(10-8-15)24-14-16(13-22(24)25)23(26)28-2/h3-12,16H,13-14H2,1-2H3
InChIKeyUBLKAMNAVMXWHK-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.04
Rot. Bonds4

About methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 58828883) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID58828883
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(-c3ccc(OC)c4ccccc34)cc2)C1
InChIInChI=1S/C23H21NO4/c1-27-21-12-11-18(19-5-3-4-6-20(19)21)15-7-9-17(10-8-15)24-14-16(13-22(24)25)23(26)28-2/h3-12,16H,13-14H2,1-2H3
InChIKeyUBLKAMNAVMXWHK-UHFFFAOYSA-N
XLogP4.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693335
methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 804856
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
(1,3-dioxoisoindol-2-yl)methyl (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056725
methyl 1-(4-carbamothioylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 134112418
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
(2-methoxyphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220494
methyl 5-oxo-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidine-3-carboxylate
CID 168694718

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate (CID 58828883) is methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccc(-c3ccc(OC)c4ccccc34)cc2)C1.
What is the InChIKey of methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is UBLKAMNAVMXWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-27-21-12-11-18(19-5-3-4-6-20(19)21)15-7-9-17(10-8-15)24-14-16(13-22(24)25)23(26)28-2/h3-12,16H,13-14H2,1-2H3.
What are the key properties of methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(4-methoxynaphthalen-1-yl)phenyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 58828883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).