3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde

C9H17NO — CID 174973635

IUPAC3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde
SMILESCCC1CC(C)(C)NC1C=O
InChIInChI=1S/C9H17NO/c1-4-7-5-9(2,3)10-8(7)6-11/h6-8,10H,4-5H2,1-3H3
InChIKeyXMZYCIAJYUSTIW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds2

About 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde

3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde (PubChem CID 174973635) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde
PubChem CID174973635
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde
SMILESCCC1CC(C)(C)NC1C=O
InChIInChI=1S/C9H17NO/c1-4-7-5-9(2,3)10-8(7)6-11/h6-8,10H,4-5H2,1-3H3
InChIKeyXMZYCIAJYUSTIW-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-tert-butylpyrrolidine-2-carbaldehyde
CID 89649738
2-Methylpyrrolidine-2-carbaldehyde
CID 17962095
4-Methylpyrrolidine-2-carbaldehyde
CID 18724109
3-Ethylpyrrolidine-2-carbaldehyde
CID 19882054
5-Methylpyrrolidine-2-carbaldehyde
CID 20187309
(2S,4S)-4-ethylpyrrolidine-2-carbaldehyde
CID 53660805
(2S)-3-ethylpyrrolidine-2-carbaldehyde
CID 53750763
(2S,5S)-5-butylpyrrolidine-2-carbaldehyde
CID 53783420
(2S)-4-methylpyrrolidine-2-carbaldehyde
CID 53999627
(2S)-3-methylpyrrolidine-2-carbaldehyde
CID 54011492
(2S)-5-methylpyrrolidine-2-carbaldehyde
CID 54027612
(2S,5S)-5-methylpyrrolidine-2-carbaldehyde
CID 54027613

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The IUPAC name of 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde (CID 174973635) is 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde.
What is the SMILES notation for 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The canonical SMILES for 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde is CCC1CC(C)(C)NC1C=O.
What is the InChIKey of 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
The InChIKey is XMZYCIAJYUSTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-7-5-9(2,3)10-8(7)6-11/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde?
3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174973635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).