3,3-dimethyl-4-propylpyrrolidin-2-one

C9H17NO — CID 89424311

IUPAC3,3-dimethyl-4-propylpyrrolidin-2-one
SMILESCCCC1CNC(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-4-5-7-6-10-8(11)9(7,2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVFSAFEDFHAEFPK-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.56
Rot. Bonds2

About 3,3-dimethyl-4-propylpyrrolidin-2-one

3,3-dimethyl-4-propylpyrrolidin-2-one (PubChem CID 89424311) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3,3-dimethyl-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-propylpyrrolidin-2-one
PubChem CID89424311
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3,3-dimethyl-4-propylpyrrolidin-2-one
SMILESCCCC1CNC(=O)C1(C)C
InChIInChI=1S/C9H17NO/c1-4-5-7-6-10-8(11)9(7,2)3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyVFSAFEDFHAEFPK-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-3,3-dimethylpyrrolidin-2-one
CID 144542846
5,5-dimethyl-4-propyloxan-2-one
CID 143693600
3,3-difluoro-4-(2-methylpropyl)pyrrolidin-2-one;ethane
CID 177136285
3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 91618811
(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 155904583
1,5,5-trimethyl-4-propylcyclopentene
CID 90979763
1,4,4-trimethyl-5-propylimidazolidin-2-one
CID 123476601
5-propylpiperidine-2,4-dione
CID 101447704
6-methyl-5-propyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 10397190
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
3-ethyl-2,2-dimethylcyclopentan-1-one
CID 89158762
1-ethyl-1-methyl-2-propylcyclopropane
CID 72514753

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-propylpyrrolidin-2-one?
The IUPAC name of 3,3-dimethyl-4-propylpyrrolidin-2-one (CID 89424311) is 3,3-dimethyl-4-propylpyrrolidin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-propylpyrrolidin-2-one?
The canonical SMILES for 3,3-dimethyl-4-propylpyrrolidin-2-one is CCCC1CNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-propylpyrrolidin-2-one?
The InChIKey is VFSAFEDFHAEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-5-7-6-10-8(11)9(7,2)3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 3,3-dimethyl-4-propylpyrrolidin-2-one?
3,3-dimethyl-4-propylpyrrolidin-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-propylpyrrolidin-2-one is sourced from PubChem (CID 89424311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).