2,2-dimethylpropanal;1-methylpyrrolidine

C10H21NO — CID 142864246

IUPAC2,2-dimethylpropanal;1-methylpyrrolidine
SMILESCC(C)(C)C=O.CN1CCCC1
InChIInChI=1S/C5H11N.C5H10O/c1-6-4-2-3-5-6;1-5(2,3)4-6/h2-5H2,1H3;4H,1-3H3
InChIKeyMXSXBYOHOUMMJZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds

About 2,2-dimethylpropanal;1-methylpyrrolidine

2,2-dimethylpropanal;1-methylpyrrolidine (PubChem CID 142864246) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2,2-dimethylpropanal;1-methylpyrrolidine.

Molecular Properties

Compound Name2,2-dimethylpropanal;1-methylpyrrolidine
PubChem CID142864246
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2,2-dimethylpropanal;1-methylpyrrolidine
SMILESCC(C)(C)C=O.CN1CCCC1
InChIInChI=1S/C5H11N.C5H10O/c1-6-4-2-3-5-6;1-5(2,3)4-6/h2-5H2,1H3;4H,1-3H3
InChIKeyMXSXBYOHOUMMJZ-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
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-dimethylpropanal;1-methylpyrrolidine?
The IUPAC name of 2,2-dimethylpropanal;1-methylpyrrolidine (CID 142864246) is 2,2-dimethylpropanal;1-methylpyrrolidine.
What is the SMILES notation for 2,2-dimethylpropanal;1-methylpyrrolidine?
The canonical SMILES for 2,2-dimethylpropanal;1-methylpyrrolidine is CC(C)(C)C=O.CN1CCCC1.
What is the InChIKey of 2,2-dimethylpropanal;1-methylpyrrolidine?
The InChIKey is MXSXBYOHOUMMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C5H10O/c1-6-4-2-3-5-6;1-5(2,3)4-6/h2-5H2,1H3;4H,1-3H3.
What are the key properties of 2,2-dimethylpropanal;1-methylpyrrolidine?
2,2-dimethylpropanal;1-methylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanal;1-methylpyrrolidine is sourced from PubChem (CID 142864246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).