1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one

C14H20N2O — CID 81374524

IUPAC1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H](C)NC1CCN(C)C1=O
InChIInChI=1S/C14H20N2O/c1-10-6-4-5-7-12(10)11(2)15-13-8-9-16(3)14(13)17/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13?/m1/s1
InChIKeyNVSUIZZYXYYLHE-JTDNENJMSA-N
MW232.33 g/mol
LogP1.88
Rot. Bonds3

About 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one

1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one (PubChem CID 81374524) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
PubChem CID81374524
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H](C)NC1CCN(C)C1=O
InChIInChI=1S/C14H20N2O/c1-10-6-4-5-7-12(10)11(2)15-13-8-9-16(3)14(13)17/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13?/m1/s1
InChIKeyNVSUIZZYXYYLHE-JTDNENJMSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81397497
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-(4-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 106253017
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
N,N-dimethyl-4-[1-(2-methylphenyl)ethylamino]piperidine-1-carboxamide
CID 83206943
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
CID 81373632
1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyrrolidin-2-one
CID 103893726
4-[[(1R)-1-(2-methylphenyl)ethyl]amino]piperidine-1-carboxamide
CID 81374272
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one (CID 81374524) is 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one is Cc1ccccc1[C@@H](C)NC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is NVSUIZZYXYYLHE-JTDNENJMSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-6-4-5-7-12(10)11(2)15-13-8-9-16(3)14(13)17/h4-7,11,13,15H,8-9H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one?
1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 81374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).