3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

C14H20N2O2 — CID 81397497

IUPAC3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1[C@H](C)NC1CCN(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-10(11-6-4-5-7-13(11)18-3)15-12-8-9-16(2)14(12)17/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyJWRKTSXBFNTQDT-NUHJPDEHSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds4

About 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 81397497) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
PubChem CID81397497
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1ccccc1[C@H](C)NC1CCN(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-10(11-6-4-5-7-13(11)18-3)15-12-8-9-16(2)14(12)17/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1
InChIKeyJWRKTSXBFNTQDT-NUHJPDEHSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
CID 81374524
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
1-methyl-3-[1-(2,3,4-trichlorophenyl)ethylamino]pyrrolidin-2-one
CID 103902425
3-[1-(2-methoxyphenyl)ethylsulfanyl]-1-methylpyrrolidin-2-one
CID 71995522
3-[1-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
4-(2-methoxyphenyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 122568943
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[1-(2-methoxyphenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63278312

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (CID 81397497) is 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is COc1ccccc1[C@H](C)NC1CCN(C)C1=O.
What is the InChIKey of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is JWRKTSXBFNTQDT-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-6-4-5-7-13(11)18-3)15-12-8-9-16(2)14(12)17/h4-7,10,12,15H,8-9H2,1-3H3/t10-,12?/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 81397497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).