5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one

C14H20N2O — CID 107529754

IUPAC5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H](C)NCC1CCC(=O)N1
InChIInChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)11(2)15-9-12-7-8-14(17)16-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)/t11-,12?/m1/s1
InChIKeyZHWSUKBSTOQQKG-JHJMLUEUSA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds4

About 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one

5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one (PubChem CID 107529754) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
PubChem CID107529754
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
SMILESCc1ccccc1[C@@H](C)NCC1CCC(=O)N1
InChIInChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)11(2)15-9-12-7-8-14(17)16-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)/t11-,12?/m1/s1
InChIKeyZHWSUKBSTOQQKG-JHJMLUEUSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(2,3-dichlorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 103902371
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726637
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
N-[(3-methylcyclopentyl)methyl]-1-(2-methylphenyl)ethanamine
CID 107411455
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
3,3-difluoro-5-[[1-(2-methylphenyl)ethylamino]methyl]oxolan-2-one
CID 106492499
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971
5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
CID 115550587
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one (CID 107529754) is 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one is Cc1ccccc1[C@@H](C)NCC1CCC(=O)N1.
What is the InChIKey of 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is ZHWSUKBSTOQQKG-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-5-3-4-6-13(10)11(2)15-9-12-7-8-14(17)16-12/h3-6,11-12,15H,7-9H2,1-2H3,(H,16,17)/t11-,12?/m1/s1.
What are the key properties of 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one?
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 107529754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).