1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one

C20H23NO2 — CID 10063941

IUPAC1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCOc1cccc(CC2(C)CCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H23NO2/c1-20(14-17-9-6-10-18(13-17)23-2)11-12-21(19(20)22)15-16-7-4-3-5-8-16/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyNSCAXPKKZNMRFE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.68
Rot. Bonds5

About 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one

1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 10063941) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
PubChem CID10063941
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCOc1cccc(CC2(C)CCN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C20H23NO2/c1-20(14-17-9-6-10-18(13-17)23-2)11-12-21(19(20)22)15-16-7-4-3-5-8-16/h3-10,13H,11-12,14-15H2,1-2H3
InChIKeyNSCAXPKKZNMRFE-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
2-benzyl-8-(4-methoxyphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-1-one
CID 71771055
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373921
2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131647571
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
ethyl 2-benzyl-4a-(3-methoxyphenyl)-1,6-dioxo-4,5,7,8-tetrahydro-3H-isoquinoline-8a-carboxylate
CID 21219406
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42457858
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
1-benzyl-3-(3-methoxyphenyl)azepan-2-one
CID 20565337

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one (CID 10063941) is 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one is COc1cccc(CC2(C)CCN(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is NSCAXPKKZNMRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(14-17-9-6-10-18(13-17)23-2)11-12-21(19(20)22)15-16-7-4-3-5-8-16/h3-10,13H,11-12,14-15H2,1-2H3.
What are the key properties of 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one?
1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 10063941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).