4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one

C13H18N2O — CID 106183258

IUPAC4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
SMILESCc1cc(C)cc(CNC2CNC(=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-3-10(2)5-11(4-9)7-14-12-6-13(16)15-8-12/h3-5,12,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyXZXWJAANKBTGJA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.28
Rot. Bonds3

About 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one

4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one (PubChem CID 106183258) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
PubChem CID106183258
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one
SMILESCc1cc(C)cc(CNC2CNC(=O)C2)c1
InChIInChI=1S/C13H18N2O/c1-9-3-10(2)5-11(4-9)7-14-12-6-13(16)15-8-12/h3-5,12,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyXZXWJAANKBTGJA-UHFFFAOYSA-N
XLogP1.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275
4-[(3,5-dibromo-4-ethoxyphenyl)methylamino]pyrrolidin-2-one
CID 106184541
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
4-[(5-fluoro-3-pyridinyl)methylamino]pyrrolidin-2-one
CID 106189605
4-(1H-indol-5-ylmethylamino)pyrrolidin-2-one
CID 106182577
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189405
4-[(3-nitrophenyl)methylamino]pyrrolidin-2-one
CID 114155136
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one (CID 106183258) is 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one is Cc1cc(C)cc(CNC2CNC(=O)C2)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one?
The InChIKey is XZXWJAANKBTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-3-10(2)5-11(4-9)7-14-12-6-13(16)15-8-12/h3-5,12,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one?
4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 106183258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).