1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one

C23H21NO3 — CID 130404557

IUPAC1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(C)(C(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H21NO3/c1-23(21(25)18-12-11-16-7-3-4-8-17(16)15-18)13-14-24(22(23)26)19-9-5-6-10-20(19)27-2/h3-12,15H,13-14H2,1-2H3
InChIKeyURLNGQPBKFDGJM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one

1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one (PubChem CID 130404557) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
PubChem CID130404557
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(C)(C(=O)c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C23H21NO3/c1-23(21(25)18-12-11-16-7-3-4-8-17(16)15-18)13-14-24(22(23)26)19-9-5-6-10-20(19)27-2/h3-12,15H,13-14H2,1-2H3
InChIKeyURLNGQPBKFDGJM-UHFFFAOYSA-N
XLogP4.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404559
3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404550
(3S)-3-(4-fluorobenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404548
(3S)-3-benzoyl-3-methyl-1-(2-propoxyphenyl)pyrrolidin-2-one
CID 130415390
(3S)-3-[(E)-but-2-enyl]-1-(2-methoxyphenyl)-3-(4-methylbenzoyl)pyrrolidin-2-one
CID 130404538
1-(2-methoxyphenyl)-3-(4-methylbenzoyl)-3-[3-(4-methylphenyl)prop-2-enyl]pyrrolidin-2-one
CID 130404571
(3S)-1-(2-methoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 8762200
1-(2-methoxyphenyl)-3-methyl-2-naphthalen-2-yl-2H-azet-4-ol
CID 101148315
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
10-(2-methoxyphenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64956352
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one (CID 130404557) is 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one is COc1ccccc1N1CCC(C)(C(=O)c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one?
The InChIKey is URLNGQPBKFDGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-23(21(25)18-12-11-16-7-3-4-8-17(16)15-18)13-14-24(22(23)26)19-9-5-6-10-20(19)27-2/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-3-(naphthalene-2-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 130404557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).