3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione

C16H20N2O2 — CID 63277861

IUPAC3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCCC1NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-6-5-9-13(11)17-14-10-15(19)18(16(14)20)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3
InChIKeyLQCRLCZCYSJLSB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.10
Rot. Bonds3

About 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione

3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione (PubChem CID 63277861) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
PubChem CID63277861
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
SMILESCC1CCCC1NC1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C16H20N2O2/c1-11-6-5-9-13(11)17-14-10-15(19)18(16(14)20)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3
InChIKeyLQCRLCZCYSJLSB-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.10
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 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione (CID 63277861) is 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione is CC1CCCC1NC1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is LQCRLCZCYSJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-6-5-9-13(11)17-14-10-15(19)18(16(14)20)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,17H,5-6,9-10H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione?
3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 63277861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).