4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one

C15H22N2O — CID 82175887

IUPAC4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccc(C(N)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)17-9-13(8-14(17)18)15(16)12-6-4-11(3)5-7-12/h4-7,10,13,15H,8-9,16H2,1-3H3
InChIKeyWKJVFENGJPPKEW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds3

About 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one

4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 82175887) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID82175887
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCc1ccc(C(N)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)17-9-13(8-14(17)18)15(16)12-6-4-11(3)5-7-12/h4-7,10,13,15H,8-9,16H2,1-3H3
InChIKeyWKJVFENGJPPKEW-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one (CID 82175887) is 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one is Cc1ccc(C(N)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WKJVFENGJPPKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)17-9-13(8-14(17)18)15(16)12-6-4-11(3)5-7-12/h4-7,10,13,15H,8-9,16H2,1-3H3.
What are the key properties of 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one?
4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methylphenyl)methyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 82175887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).