1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione

C17H18N2O2 — CID 61238092

IUPAC1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(N)c2cccc3ccccc23)C1=O
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)19(17(11)21)10-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,15H,9-10,18H2,1H3
InChIKeyZMRDTPQECKMMNE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione

1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61238092) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione
PubChem CID61238092
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(N)c2cccc3ccccc23)C1=O
InChIInChI=1S/C17H18N2O2/c1-11-9-16(20)19(17(11)21)10-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,15H,9-10,18H2,1H3
InChIKeyZMRDTPQECKMMNE-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.23
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-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione (CID 61238092) is 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(N)c2cccc3ccccc23)C1=O.
What is the InChIKey of 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is ZMRDTPQECKMMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-9-16(20)19(17(11)21)10-15(18)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11,15H,9-10,18H2,1H3.
What are the key properties of 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione?
1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 282.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-naphthalen-1-ylethyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61238092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).