4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one

C13H18N2O2 — CID 114155202

IUPAC4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CNC1CNC(=O)C1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-12(17-2)10(5-9)7-14-11-6-13(16)15-8-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyLKTRLQSUMUMQRB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one

4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 114155202) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
PubChem CID114155202
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CNC1CNC(=O)C1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-12(17-2)10(5-9)7-14-11-6-13(16)15-8-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyLKTRLQSUMUMQRB-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methoxy-5-methylphenyl)methylamino]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

4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
CID 106183258
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
CID 106862663
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 82159054
5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
2-[ethyl-[3-[(2-methoxy-5-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042318
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one (CID 114155202) is 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one is COc1ccc(C)cc1CNC1CNC(=O)C1.
What is the InChIKey of 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is LKTRLQSUMUMQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-12(17-2)10(5-9)7-14-11-6-13(16)15-8-11/h3-5,11,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one?
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 114155202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).