(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one

C14H20N2O — CID 163627082

IUPAC(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2C(=O)CC[C@@H]2CN)cc(C)c1C
InChIInChI=1S/C14H20N2O/c1-9-6-13(7-10(2)11(9)3)16-12(8-15)4-5-14(16)17/h6-7,12H,4-5,8,15H2,1-3H3/t12-/m1/s1
InChIKeyHSYACHRDBWWFPE-GFCCVEGCSA-N
MW232.33 g/mol
LogP2.07
Rot. Bonds2

About (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one

(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one (PubChem CID 163627082) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
PubChem CID163627082
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2C(=O)CC[C@@H]2CN)cc(C)c1C
InChIInChI=1S/C14H20N2O/c1-9-6-13(7-10(2)11(9)3)16-12(8-15)4-5-14(16)17/h6-7,12H,4-5,8,15H2,1-3H3/t12-/m1/s1
InChIKeyHSYACHRDBWWFPE-GFCCVEGCSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one (CID 163627082) is (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one is Cc1cc(N2C(=O)CC[C@@H]2CN)cc(C)c1C.
What is the InChIKey of (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
The InChIKey is HSYACHRDBWWFPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-6-13(7-10(2)11(9)3)16-12(8-15)4-5-14(16)17/h6-7,12H,4-5,8,15H2,1-3H3/t12-/m1/s1.
What are the key properties of (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one?
(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 163627082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).