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

C15H22N2O — CID 82175909

IUPAC4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(N)c2ccc(C)cc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-3-8-17-10-13(9-14(17)18)15(16)12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10,16H2,1-2H3
InChIKeyOPBQBMQSCXQSBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds4

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

4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one (PubChem CID 82175909) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one
PubChem CID82175909
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(N)c2ccc(C)cc2)CC1=O
InChIInChI=1S/C15H22N2O/c1-3-8-17-10-13(9-14(17)18)15(16)12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10,16H2,1-2H3
InChIKeyOPBQBMQSCXQSBS-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-propylpyrrolidin-2-one?
The IUPAC name of 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one (CID 82175909) is 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one is CCCN1CC(C(N)c2ccc(C)cc2)CC1=O.
What is the InChIKey of 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one?
The InChIKey is OPBQBMQSCXQSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-8-17-10-13(9-14(17)18)15(16)12-6-4-11(2)5-7-12/h4-7,13,15H,3,8-10,16H2,1-2H3.
What are the key properties of 4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one?
4-[amino-(4-methylphenyl)methyl]-1-propylpyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.25, 4 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-propylpyrrolidin-2-one is sourced from PubChem (CID 82175909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).