4-methyl-1-pyrrolidin-3-ylpentan-2-one

C10H19NO — CID 58325128

IUPAC4-methyl-1-pyrrolidin-3-ylpentan-2-one
SMILESCC(C)CC(=O)CC1CCNC1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(12)6-9-3-4-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXEOCHJXCEPAVEH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.60
Rot. Bonds4

About 4-methyl-1-pyrrolidin-3-ylpentan-2-one

4-methyl-1-pyrrolidin-3-ylpentan-2-one (PubChem CID 58325128) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-methyl-1-pyrrolidin-3-ylpentan-2-one.

Molecular Properties

Compound Name4-methyl-1-pyrrolidin-3-ylpentan-2-one
PubChem CID58325128
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-methyl-1-pyrrolidin-3-ylpentan-2-one
SMILESCC(C)CC(=O)CC1CCNC1
InChIInChI=1S/C10H19NO/c1-8(2)5-10(12)6-9-3-4-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXEOCHJXCEPAVEH-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-methyl-3-[3-(methylamino)propyl]hexan-2-one
CID 58143621
3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
1-(4-Fluoropyrrolidin-2-yl)-2-methylbutan-1-one
CID 90709568
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213517
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213605
2-ethyl-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]heptan-1-one
CID 130436504
1-(4,4-Difluoro-2-methylpyrrolidin-2-yl)-2-ethylbutan-1-one
CID 130457332
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-ethylbutan-1-one
CID 132108935
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylbutan-1-one
CID 132111028
1-[(3S)-3-fluoro-5,5-dimethylpyrrolidin-3-yl]propan-1-one
CID 177059634
1-Fluoro-1-pyrrolidin-3-ylpropan-2-one
CID 105428770
3-Fluoro-4-pyrrolidin-3-ylbutan-2-one
CID 105431226

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrrolidin-3-ylpentan-2-one?
The IUPAC name of 4-methyl-1-pyrrolidin-3-ylpentan-2-one (CID 58325128) is 4-methyl-1-pyrrolidin-3-ylpentan-2-one.
What is the SMILES notation for 4-methyl-1-pyrrolidin-3-ylpentan-2-one?
The canonical SMILES for 4-methyl-1-pyrrolidin-3-ylpentan-2-one is CC(C)CC(=O)CC1CCNC1.
What is the InChIKey of 4-methyl-1-pyrrolidin-3-ylpentan-2-one?
The InChIKey is XEOCHJXCEPAVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-10(12)6-9-3-4-11-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-1-pyrrolidin-3-ylpentan-2-one?
4-methyl-1-pyrrolidin-3-ylpentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrrolidin-3-ylpentan-2-one is sourced from PubChem (CID 58325128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).