4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one

C15H21NO2 — CID 167374651

IUPAC4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(C)(C)C)CC2=O)c1
InChIInChI=1S/C15H21NO2/c1-15(2,3)11-8-14(17)16(10-11)12-6-5-7-13(9-12)18-4/h5-7,9,11H,8,10H2,1-4H3
InChIKeyDYGMBQUDFNDWCD-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.09
Rot. Bonds2

About 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one

4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 167374651) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID167374651
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(C(C)(C)C)CC2=O)c1
InChIInChI=1S/C15H21NO2/c1-15(2,3)11-8-14(17)16(10-11)12-6-5-7-13(9-12)18-4/h5-7,9,11H,8,10H2,1-4H3
InChIKeyDYGMBQUDFNDWCD-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
tert-butyl 4-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29132211
1-tert-butyl-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544056
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
(4-bromophenyl) (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056880
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 167374651) is 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(C(C)(C)C)CC2=O)c1.
What is the InChIKey of 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is DYGMBQUDFNDWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)11-8-14(17)16(10-11)12-6-5-7-13(9-12)18-4/h5-7,9,11H,8,10H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 167374651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).