(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one

C16H24N2O — CID 141078098

IUPAC(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCCc1c(C)cccc1CCNC[C@H]1CCC(=O)N1
InChIInChI=1S/C16H24N2O/c1-3-15-12(2)5-4-6-13(15)9-10-17-11-14-7-8-16(19)18-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySDIVPGJUJOHNSO-CQSZACIVSA-N
MW260.38 g/mol
LogP1.97
Rot. Bonds6

About (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one

(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 141078098) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID141078098
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCCc1c(C)cccc1CCNC[C@H]1CCC(=O)N1
InChIInChI=1S/C16H24N2O/c1-3-15-12(2)5-4-6-13(15)9-10-17-11-14-7-8-16(19)18-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeySDIVPGJUJOHNSO-CQSZACIVSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
5-[(hexylamino)methyl]pyrrolidin-2-one
CID 60727785
5-[(2-amino-6-methylanilino)methyl]pyrrolidin-2-one
CID 115550587
2-fluoro-3-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 80711647
4-[[2-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-one
CID 115240249
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
5-[[2-(dimethylamino)ethylamino]methyl]pyrrolidin-2-one
CID 60726501
5-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]pyrrolidin-2-one
CID 107529437
5-[(3-hydroxypentylamino)methyl]pyrrolidin-2-one
CID 107530049
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one (CID 141078098) is (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one is CCc1c(C)cccc1CCNC[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is SDIVPGJUJOHNSO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-15-12(2)5-4-6-13(15)9-10-17-11-14-7-8-16(19)18-14/h4-6,14,17H,3,7-11H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one?
(5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-(2-ethyl-3-methylphenyl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141078098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).