1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C15H20N2O2 — CID 43437343

IUPAC1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3)8-13(18)17(14(15)19)12-6-4-11(9-16)5-7-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeyLIXVGFIVDLEZRZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 43437343) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID43437343
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1(C)CC(=O)N(c2ccc(CN)cc2)C1=O
InChIInChI=1S/C15H20N2O2/c1-10(2)15(3)8-13(18)17(14(15)19)12-6-4-11(9-16)5-7-12/h4-7,10H,8-9,16H2,1-3H3
InChIKeyLIXVGFIVDLEZRZ-UHFFFAOYSA-N
XLogP2.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 43437343) is 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1(C)CC(=O)N(c2ccc(CN)cc2)C1=O.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LIXVGFIVDLEZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)15(3)8-13(18)17(14(15)19)12-6-4-11(9-16)5-7-12/h4-7,10H,8-9,16H2,1-3H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 260.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 43437343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).