1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C13H17NO2 — CID 58733507

IUPAC1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccccc1CN1C(=O)CCC1C
InChIInChI=1S/C13H17NO2/c1-10-7-8-13(15)14(10)9-11-5-3-4-6-12(11)16-2/h3-6,10H,7-9H2,1-2H3
InChIKeySQYGUNVVNPJJCB-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.21
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 58733507) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID58733507
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccccc1CN1C(=O)CCC1C
InChIInChI=1S/C13H17NO2/c1-10-7-8-13(15)14(10)9-11-5-3-4-6-12(11)16-2/h3-6,10H,7-9H2,1-2H3
InChIKeySQYGUNVVNPJJCB-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(chloromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 19385519
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
(4aR,8aS)-1-(2-methoxyethyl)-6-[(2-methoxyphenyl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 26275442
3-ethyl-1-[(2-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902782
1-[(2-methoxyphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955907
1-[(2,6-dichlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733453
6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236637
N-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955924
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91955897
2-(4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3866399

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 58733507) is 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is COc1ccccc1CN1C(=O)CCC1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is SQYGUNVVNPJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-7-8-13(15)14(10)9-11-5-3-4-6-12(11)16-2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 58733507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).