(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate

C23H19NO5 — CID 55611421

IUPAC(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H19NO5/c1-28-23(27)19-11-15-7-5-6-8-16(15)12-20(19)29-22(26)17-13-21(25)24(14-17)18-9-3-2-4-10-18/h2-12,17H,13-14H2,1H3
InChIKeyLJYXWZFLEMGUCE-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.58
Rot. Bonds4

About (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate

(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate (PubChem CID 55611421) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate
PubChem CID55611421
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2cc1OC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C23H19NO5/c1-28-23(27)19-11-15-7-5-6-8-16(15)12-20(19)29-22(26)17-13-21(25)24(14-17)18-9-3-2-4-10-18/h2-12,17H,13-14H2,1H3
InChIKeyLJYXWZFLEMGUCE-UHFFFAOYSA-N
XLogP3.58
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 55337985
(2-acetylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056895
(2-chlorophenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056891
methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
(4-methoxycarbonylphenyl) (3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057135
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
methyl 1-(3-methoxy-4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693335
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
(2-methoxyphenyl) (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220494
(2-methoxyphenyl) (3R)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057233
(4-methoxycarbonylphenyl) 1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2960914
(2,5-dimethylphenyl) (3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056899

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The IUPAC name of (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate (CID 55611421) is (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate.
What is the SMILES notation for (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The canonical SMILES for (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate is COC(=O)c1cc2ccccc2cc1OC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate?
The InChIKey is LJYXWZFLEMGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c1-28-23(27)19-11-15-7-5-6-8-16(15)12-20(19)29-22(26)17-13-21(25)24(14-17)18-9-3-2-4-10-18/h2-12,17H,13-14H2,1H3.
What are the key properties of (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate?
(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-phenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55611421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).