3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane

C16H35NO2 — CID 144937454

IUPAC3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
SMILESCC.CC.CC.CCCCC1C(=O)N(C)C(=O)C1C
InChIInChI=1S/C10H17NO2.3C2H6/c1-4-5-6-8-7(2)9(12)11(3)10(8)13;3*1-2/h7-8H,4-6H2,1-3H3;3*1-2H3
InChIKeyKXRSRDZXXPUMOQ-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.51
Rot. Bonds3

About 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane

3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane (PubChem CID 144937454) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
PubChem CID144937454
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane
SMILESCC.CC.CC.CCCCC1C(=O)N(C)C(=O)C1C
InChIInChI=1S/C10H17NO2.3C2H6/c1-4-5-6-8-7(2)9(12)11(3)10(8)13;3*1-2/h7-8H,4-6H2,1-3H3;3*1-2H3
InChIKeyKXRSRDZXXPUMOQ-UHFFFAOYSA-N
XLogP4.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
4-butyl-3-methyloxetan-2-one
CID 173294472
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
4-hexyl-5-methylcyclopentane-1,3-dione
CID 54288765
5-butyl-4-methyloxolane-2,3-dione
CID 91498461
3-butyl-1-heptylaziridin-2-one
CID 23178730
3-butyl-1-ethylaziridin-2-one
CID 18006250
3-butyloxiran-2-one
CID 18762090
(3S,4R)-3-butyl-4-pentyloxetan-2-one;(3R,4R)-3-butyl-4-pentyloxetan-2-one;methane
CID 158289159
2,6-dibutyl-4-methyl-1,1-dioxo-1,2,6-thiadiazinane-3,5-dione;methane
CID 159666639
(3R,4S,5S)-4-methyl-3,5-dipentyloxolan-2-one
CID 10752571

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane?
The IUPAC name of 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane (CID 144937454) is 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane?
The canonical SMILES for 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane is CC.CC.CC.CCCCC1C(=O)N(C)C(=O)C1C.
What is the InChIKey of 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane?
The InChIKey is KXRSRDZXXPUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.3C2H6/c1-4-5-6-8-7(2)9(12)11(3)10(8)13;3*1-2/h7-8H,4-6H2,1-3H3;3*1-2H3.
What are the key properties of 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane?
3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane has a molecular weight of 273.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,4-dimethylpyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 144937454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).