1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one

C12H15NO2 — CID 169218000

IUPAC1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
SMILESCOc1cccc(N2CC(C)CC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-6-12(14)13(8-9)10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyJXDMAHHUJYBZPC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.07
Rot. Bonds2

About 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one

1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one (PubChem CID 169218000) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
PubChem CID169218000
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
SMILESCOc1cccc(N2CC(C)CC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-6-12(14)13(8-9)10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3
InChIKeyJXDMAHHUJYBZPC-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
1-(3-methoxyphenyl)-N-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 46564890
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
4-methoxy-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548080
(4-bromophenyl) (3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9056880
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
(2S,6R)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2,6-dimethylmorpholine-4-carboxamide
CID 7215119
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one (CID 169218000) is 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one is COc1cccc(N2CC(C)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one?
The InChIKey is JXDMAHHUJYBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-6-12(14)13(8-9)10-4-3-5-11(7-10)15-2/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one?
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 169218000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).