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

C13H22N2O2 — CID 114545472

IUPAC3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(C(C)C)C2=O)C1
InChIInChI=1S/C13H22N2O2/c1-8(2)15-12(16)7-11(13(15)17)14-10-5-4-9(3)6-10/h8-11,14H,4-7H2,1-3H3
InChIKeyVQFSZKOAHAQGQX-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds3

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

3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 114545472) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID114545472
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(C(C)C)C2=O)C1
InChIInChI=1S/C13H22N2O2/c1-8(2)15-12(16)7-11(13(15)17)14-10-5-4-9(3)6-10/h8-11,14H,4-7H2,1-3H3
InChIKeyVQFSZKOAHAQGQX-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
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-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 114545472) is 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is CC1CCC(NC2CC(=O)N(C(C)C)C2=O)C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is VQFSZKOAHAQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)15-12(16)7-11(13(15)17)14-10-5-4-9(3)6-10/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)amino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 114545472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).