4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one

C14H20N2O — CID 117022515

IUPAC4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccccc1N1C(=O)CC(N)C1C
InChIInChI=1S/C14H20N2O/c1-9(2)11-6-4-5-7-13(11)16-10(3)12(15)8-14(16)17/h4-7,9-10,12H,8,15H2,1-3H3
InChIKeyRLWUXUOHRDXEOO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds2

About 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one

4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 117022515) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID117022515
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccccc1N1C(=O)CC(N)C1C
InChIInChI=1S/C14H20N2O/c1-9(2)11-6-4-5-7-13(11)16-10(3)12(15)8-14(16)17/h4-7,9-10,12H,8,15H2,1-3H3
InChIKeyRLWUXUOHRDXEOO-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one (CID 117022515) is 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one is CC(C)c1ccccc1N1C(=O)CC(N)C1C.
What is the InChIKey of 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is RLWUXUOHRDXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)11-6-4-5-7-13(11)16-10(3)12(15)8-14(16)17/h4-7,9-10,12H,8,15H2,1-3H3.
What are the key properties of 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one?
4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 117022515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).