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

C14H24N2O2 — CID 63822409

IUPAC3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-12(17)8-11(13(16)18)15-9-14(3)6-4-5-7-14/h10-11,15H,4-9H2,1-3H3
InChIKeyBLJGOUNKOUFTOU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds4

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

3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 63822409) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID63822409
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)N1C(=O)CC(NCC2(C)CCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-12(17)8-11(13(16)18)15-9-14(3)6-4-5-7-14/h10-11,15H,4-9H2,1-3H3
InChIKeyBLJGOUNKOUFTOU-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
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-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione (CID 63822409) is 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)N1C(=O)CC(NCC2(C)CCCC2)C1=O.
What is the InChIKey of 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is BLJGOUNKOUFTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-12(17)8-11(13(16)18)15-9-14(3)6-4-5-7-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione?
3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)methylamino]-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 63822409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).