1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde

C11H19NO2 — CID 88907637

IUPAC1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCCC(C)(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)10(14)12-7-5-6-9(12)8-13/h8-9H,4-7H2,1-3H3
InChIKeyUIEPYNITOLKXTH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds3

About 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde

1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 88907637) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
PubChem CID88907637
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCCC(C)(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)10(14)12-7-5-6-9(12)8-13/h8-9H,4-7H2,1-3H3
InChIKeyUIEPYNITOLKXTH-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1-[2-(2-oxopropyl)pyrrolidin-1-yl]butan-1-one
CID 79540481
1-[2-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755069
1-(2,2-dimethylbutanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069694
1-butanoylpyrrolidine-2-carbaldehyde
CID 19783440
1-(2,2-dimethylbutanoyl)azepane-2-carboxylic acid
CID 64559553
1-(7-azabicyclo[2.2.1]heptan-7-yl)-2,2-dimethylbutan-1-one
CID 59945538
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
1-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylbutan-1-one
CID 130557857
2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546679
1-(2-methylsulfanylacetyl)pyrrolidine-2-carbaldehyde
CID 14192042
(2S)-1-[(E)-but-2-enoyl]pyrrolidine-2-carbaldehyde
CID 101071954

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde (CID 88907637) is 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde is CCC(C)(C)C(=O)N1CCCC1C=O.
What is the InChIKey of 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is UIEPYNITOLKXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11(2,3)10(14)12-7-5-6-9(12)8-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 88907637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).