4-methyl-4-propylpyrrolidin-2-one

C8H15NO — CID 66106736

IUPAC4-methyl-4-propylpyrrolidin-2-one
SMILESCCCC1(C)CNC(=O)C1
InChIInChI=1S/C8H15NO/c1-3-4-8(2)5-7(10)9-6-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyNQSWTQURYWHLIJ-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds2

About 4-methyl-4-propylpyrrolidin-2-one

4-methyl-4-propylpyrrolidin-2-one (PubChem CID 66106736) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-methyl-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-methyl-4-propylpyrrolidin-2-one
PubChem CID66106736
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-methyl-4-propylpyrrolidin-2-one
SMILESCCCC1(C)CNC(=O)C1
InChIInChI=1S/C8H15NO/c1-3-4-8(2)5-7(10)9-6-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyNQSWTQURYWHLIJ-UHFFFAOYSA-N
XLogP1.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4-methylpyrrolidin-2-one
CID 18784903
4-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methylpyrrolidin-2-one
CID 66109327
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
(3S)-3-methyl-3-propylcyclopentan-1-one
CID 171036794
(3-methyl-5-oxopyrrolidin-3-yl)methyl 3,3-dimethylbutanoate
CID 102562732
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
5-(aminomethyl)-5-propylpiperidin-2-one
CID 83529483
4-tert-butyl-4-ethylpyrrolidin-2-one;ethane
CID 153377409
4-(4-ethylphenyl)-4-methylpyrrolidin-2-one
CID 66106295
3-ethyl-3-propylazetidin-2-one
CID 55286794
4-butyl-4-methylazetidin-2-one
CID 100957433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-propylpyrrolidin-2-one?
The IUPAC name of 4-methyl-4-propylpyrrolidin-2-one (CID 66106736) is 4-methyl-4-propylpyrrolidin-2-one.
What is the SMILES notation for 4-methyl-4-propylpyrrolidin-2-one?
The canonical SMILES for 4-methyl-4-propylpyrrolidin-2-one is CCCC1(C)CNC(=O)C1.
What is the InChIKey of 4-methyl-4-propylpyrrolidin-2-one?
The InChIKey is NQSWTQURYWHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-8(2)5-7(10)9-6-8/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-methyl-4-propylpyrrolidin-2-one?
4-methyl-4-propylpyrrolidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-propylpyrrolidin-2-one is sourced from PubChem (CID 66106736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).