2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal

C10H19NO — CID 131187031

IUPAC2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal
SMILESCC1CCN(C(C)(C)C=O)C1C
InChIInChI=1S/C10H19NO/c1-8-5-6-11(9(8)2)10(3,4)7-12/h7-9H,5-6H2,1-4H3
InChIKeyJLGIATPLZWBZKQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.69
Rot. Bonds2

About 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal

2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal (PubChem CID 131187031) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal
PubChem CID131187031
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal
SMILESCC1CCN(C(C)(C)C=O)C1C
InChIInChI=1S/C10H19NO/c1-8-5-6-11(9(8)2)10(3,4)7-12/h7-9H,5-6H2,1-4H3
InChIKeyJLGIATPLZWBZKQ-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal?
The IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal (CID 131187031) is 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal is CC1CCN(C(C)(C)C=O)C1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal?
The InChIKey is JLGIATPLZWBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-5-6-11(9(8)2)10(3,4)7-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal?
2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal has a molecular weight of 169.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolidin-1-yl)-2-methylpropanal is sourced from PubChem (CID 131187031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).