1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one

C20H21NO2 — CID 122234530

IUPAC1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one
SMILESC=C1C(=O)N(c2cc(C)cc(C)c2)CC1(O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO2/c1-13-5-7-17(8-6-13)20(23)12-21(19(22)16(20)4)18-10-14(2)9-15(3)11-18/h5-11,23H,4,12H2,1-3H3
InChIKeyKMKOZGFEUVEVRQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.40
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one

1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 122234530) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one
PubChem CID122234530
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one
SMILESC=C1C(=O)N(c2cc(C)cc(C)c2)CC1(O)c1ccc(C)cc1
InChIInChI=1S/C20H21NO2/c1-13-5-7-17(8-6-13)20(23)12-21(19(22)16(20)4)18-10-14(2)9-15(3)11-18/h5-11,23H,4,12H2,1-3H3
InChIKeyKMKOZGFEUVEVRQ-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 651977
1-Benzyl-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxyindol-2-one
CID 2955435
3-hydroxy-3-{2-oxo-2-[4-(propan-2-yl)phenyl]ethyl}-1-propyl-1,3-dihydro-2H-indol-2-one
CID 4414000
3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
CID 15991224
1-benzyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 15991227
1-(2-Diethylamino-ethyl)-3-hydroxy-2-oxo-3-phenyl-4-trifluoromethyl-2,3-dihydro-1H-indole-6-carboxylic acid amide
CID 44390888
3-hydroxy-1-(4-methylbenzyl)-3-(2-oxo-2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 2925179
3-hydroxy-1-(4-methylbenzyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 15991223
3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-1-ethyl-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 645159
3-hydroxy-1-methyl-3-{2-[2-methyl-5-(propan-2-yl)phenyl]-2-oxoethyl}-1,3-dihydro-2H-indol-2-one
CID 666942
1-benzyl-3-hydroxy-3-(2-oxopropyl)-1,3-dihydro-2H-indol-2-one
CID 2817391
3-Hydroxy-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-propylindol-2-one
CID 2954968

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one (CID 122234530) is 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one is C=C1C(=O)N(c2cc(C)cc(C)c2)CC1(O)c1ccc(C)cc1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is KMKOZGFEUVEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-5-7-17(8-6-13)20(23)12-21(19(22)16(20)4)18-10-14(2)9-15(3)11-18/h5-11,23H,4,12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 307.39 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-hydroxy-3-methylidene-4-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 122234530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).