4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

C12H15NO2 — CID 18361933

IUPAC4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C12H15NO2/c1-13-8-10(7-12(13)14)9-3-5-11(15-2)6-4-9/h3-6,10H,7-8H2,1-2H3
InChIKeyNZBFUUVLAXAWSZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds2

About 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one (PubChem CID 18361933) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
PubChem CID18361933
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C2CC(=O)N(C)C2)cc1
InChIInChI=1S/C12H15NO2/c1-13-8-10(7-12(13)14)9-3-5-11(15-2)6-4-9/h3-6,10H,7-8H2,1-2H3
InChIKeyNZBFUUVLAXAWSZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
5-amino-4-(4-methoxyphenyl)-1-methylpiperidin-2-one
CID 83540319
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
(4R)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrolidin-2-one
CID 11034304
4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002259
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
4-(4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982870
2,6-bis(4-methoxyphenyl)-1-methylpiperidin-4-one
CID 14047057
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one (CID 18361933) is 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one is COc1ccc(C2CC(=O)N(C)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The InChIKey is NZBFUUVLAXAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-8-10(7-12(13)14)9-3-5-11(15-2)6-4-9/h3-6,10H,7-8H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 18361933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).