1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione

C14H24N2O3 — CID 104759895

IUPAC1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
SMILESCC(C)OCCNC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)19-8-7-15-12-9-13(17)16(14(12)18)11-5-3-4-6-11/h10-12,15H,3-9H2,1-2H3
InChIKeyMERRPFYWVBPGKJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds6

About 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione (PubChem CID 104759895) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
PubChem CID104759895
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
SMILESCC(C)OCCNC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-10(2)19-8-7-15-12-9-13(17)16(14(12)18)11-5-3-4-6-11/h10-12,15H,3-9H2,1-2H3
InChIKeyMERRPFYWVBPGKJ-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione (CID 104759895) is 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione is CC(C)OCCNC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione?
The InChIKey is MERRPFYWVBPGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(2)19-8-7-15-12-9-13(17)16(14(12)18)11-5-3-4-6-11/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 104759895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).