3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal

C14H23NO3 — CID 134480146

IUPAC3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal
SMILESCCC(C)C1CC(=O)N(C(C)C(C)(C)C=O)C1=O
InChIInChI=1S/C14H23NO3/c1-6-9(2)11-7-12(17)15(13(11)18)10(3)14(4,5)8-16/h8-11H,6-7H2,1-5H3
InChIKeyTXNPRCGEXKOIIZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.02
Rot. Bonds5

About 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal

3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal (PubChem CID 134480146) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal.

Molecular Properties

Compound Name3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal
PubChem CID134480146
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal
SMILESCCC(C)C1CC(=O)N(C(C)C(C)(C)C=O)C1=O
InChIInChI=1S/C14H23NO3/c1-6-9(2)11-7-12(17)15(13(11)18)10(3)14(4,5)8-16/h8-11H,6-7H2,1-5H3
InChIKeyTXNPRCGEXKOIIZ-UHFFFAOYSA-N
XLogP2.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butan-2-yl-1-(2-methylbutyl)pyrrolidine-2,5-dione
CID 147895456
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 104830298
3,5-di(butan-2-yl)cyclohexane-1,2-dione
CID 24973311
(2S)-2-butan-2-ylcyclopentan-1-one
CID 89019015
3-(butan-2-ylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637941
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
(2S)-2-[(2S)-butan-2-yl]cyclohexan-1-one
CID 6992619
tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate
CID 70269516
3-butan-2-yl-2,3-dihydroinden-1-one
CID 146549905
2-butan-2-yl-4-methylidenecyclopentan-1-one
CID 129266457
1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 23875

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal?
The IUPAC name of 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal (CID 134480146) is 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal.
What is the SMILES notation for 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal?
The canonical SMILES for 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal is CCC(C)C1CC(=O)N(C(C)C(C)(C)C=O)C1=O.
What is the InChIKey of 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal?
The InChIKey is TXNPRCGEXKOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-9(2)11-7-12(17)15(13(11)18)10(3)14(4,5)8-16/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal?
3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal has a molecular weight of 253.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yl-2,5-dioxopyrrolidin-1-yl)-2,2-dimethylbutanal is sourced from PubChem (CID 134480146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).