2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal

C12H23NO — CID 166485650

IUPAC2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal
SMILESCC(C)(C=O)CC(C)(C)C1CCCN1
InChIInChI=1S/C12H23NO/c1-11(2,9-14)8-12(3,4)10-6-5-7-13-10/h9-10,13H,5-8H2,1-4H3
InChIKeyWOINCBZSROYPSU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.38
Rot. Bonds4

About 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal

2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal (PubChem CID 166485650) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal.

Molecular Properties

Compound Name2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal
PubChem CID166485650
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal
SMILESCC(C)(C=O)CC(C)(C)C1CCCN1
InChIInChI=1S/C12H23NO/c1-11(2,9-14)8-12(3,4)10-6-5-7-13-10/h9-10,13H,5-8H2,1-4H3
InChIKeyWOINCBZSROYPSU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.38
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

2-(2-methylbutan-2-yl)piperidine
CID 118553273
2-(2-methylbutan-2-yl)azepane
CID 62677449
2-tert-butylpyrrolidine;methane
CID 174978961
4-methyl-2-(2,4,4-trimethylpentan-2-yl)azepane
CID 143027382
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
2-(2-methyl-1-phenylpropan-2-yl)pyrrolidine
CID 83908576
2-tert-butylpyrrolidine;2-methylpropane
CID 143359861
2-piperidin-2-ylpropan-2-amine
CID 55284786
2-piperidin-2-ylpropan-2-yl formate
CID 18700209
2-(2-fluoro-3-methylpentan-2-yl)pyrrolidine
CID 131015142
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal?
The IUPAC name of 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal (CID 166485650) is 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal.
What is the SMILES notation for 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal?
The canonical SMILES for 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal is CC(C)(C=O)CC(C)(C)C1CCCN1.
What is the InChIKey of 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal?
The InChIKey is WOINCBZSROYPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2,9-14)8-12(3,4)10-6-5-7-13-10/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal?
2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal has a molecular weight of 197.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-4-pyrrolidin-2-ylpentanal is sourced from PubChem (CID 166485650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).