1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde

C11H19NO2 — CID 138622925

IUPAC1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C11H19NO2/c1-8(2)9(3)11(14)12-6-4-5-10(12)7-13/h7-10H,4-6H2,1-3H3
InChIKeyZSRHJFYECHATAO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds3

About 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde

1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde (PubChem CID 138622925) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
PubChem CID138622925
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde
SMILESCC(C)C(C)C(=O)N1CCCC1C=O
InChIInChI=1S/C11H19NO2/c1-8(2)9(3)11(14)12-6-4-5-10(12)7-13/h7-10H,4-6H2,1-3H3
InChIKeyZSRHJFYECHATAO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
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

1-Methyl-5-oxopyrrolidine-2-carbaldehyde
CID 19089740
Tert-butyl 2-formyl-3-methylpyrrolidine-1-carboxylate
CID 87098611
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbaldehyde
CID 21137004
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 22853811
(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 22887901
(2S,4S)-4-fluoro-1-propanoylpyrrolidine-2-carbaldehyde
CID 88569339
(2S,4R)-1-(2,2-dimethylpropanoyl)-4-fluoro-3-methylpyrrolidine-2-carbaldehyde
CID 130192343
(2S,3S,4S)-4-fluoro-3-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carbaldehyde
CID 130192345
1-(2,3-Dimethylbutanoyl)-4,4-difluoropyrrolidine-2-carbaldehyde
CID 172265618
1-Acetylpyrrolidine-2-carbaldehyde
CID 14079976
(S)-1-Acetyl-pyrrolidine-2-carbaldehyde
CID 14079977
(R)-1-Methyl-5-oxopyrrolidine-2-carbaldehyde
CID 15159841

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde (CID 138622925) is 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde is CC(C)C(C)C(=O)N1CCCC1C=O.
What is the InChIKey of 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
The InChIKey is ZSRHJFYECHATAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)9(3)11(14)12-6-4-5-10(12)7-13/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde?
1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde has a molecular weight of 197.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutanoyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 138622925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).