1-(1-butoxyethyl)pyrrolidine-2,5-dione

C10H17NO3 — CID 24975057

IUPAC1-(1-butoxyethyl)pyrrolidine-2,5-dione
SMILESCCCCOC(C)N1C(=O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-7-14-8(2)11-9(12)5-6-10(11)13/h8H,3-7H2,1-2H3
InChIKeyAEBILLASRTYMTQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.30
Rot. Bonds5

About 1-(1-butoxyethyl)pyrrolidine-2,5-dione

1-(1-butoxyethyl)pyrrolidine-2,5-dione (PubChem CID 24975057) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(1-butoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1-butoxyethyl)pyrrolidine-2,5-dione
PubChem CID24975057
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(1-butoxyethyl)pyrrolidine-2,5-dione
SMILESCCCCOC(C)N1C(=O)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-4-7-14-8(2)11-9(12)5-6-10(11)13/h8H,3-7H2,1-2H3
InChIKeyAEBILLASRTYMTQ-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
1-(2,5-dioxopyrrolidin-1-yl)ethyl formate
CID 173415580
4-(1-butoxyethyl)morpholine
CID 23336947
4-[(1R)-1-butoxyethyl]-1,2,4-triazole
CID 40535397
butyl (2R)-2-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]oxypropanoate
CID 95636366
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
1-(3-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 122537450
1-pentan-2-ylpiperidine-2,6-dione
CID 130638251
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296

Frequently Asked Questions

What is the IUPAC name of 1-(1-butoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(1-butoxyethyl)pyrrolidine-2,5-dione (CID 24975057) is 1-(1-butoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1-butoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(1-butoxyethyl)pyrrolidine-2,5-dione is CCCCOC(C)N1C(=O)CCC1=O.
What is the InChIKey of 1-(1-butoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is AEBILLASRTYMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-7-14-8(2)11-9(12)5-6-10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-(1-butoxyethyl)pyrrolidine-2,5-dione?
1-(1-butoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 24975057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).