4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one

C16H24N2O — CID 112514796

IUPAC4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one
SMILESCCCc1ccc(CCCN2CC(N)CC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-13-6-8-14(9-7-13)5-3-10-18-12-15(17)11-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyMTKXFVYIHCGXGG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one

4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one (PubChem CID 112514796) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one
PubChem CID112514796
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one
SMILESCCCc1ccc(CCCN2CC(N)CC2=O)cc1
InChIInChI=1S/C16H24N2O/c1-2-4-13-6-8-14(9-7-13)5-3-10-18-12-15(17)11-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3
InChIKeyMTKXFVYIHCGXGG-UHFFFAOYSA-N
XLogP2.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one (CID 112514796) is 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one is CCCc1ccc(CCCN2CC(N)CC2=O)cc1.
What is the InChIKey of 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one?
The InChIKey is MTKXFVYIHCGXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-4-13-6-8-14(9-7-13)5-3-10-18-12-15(17)11-16(18)19/h6-9,15H,2-5,10-12,17H2,1H3.
What are the key properties of 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one?
4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(4-propylphenyl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 112514796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).