(5R)-5-butan-2-ylpyrrolidin-2-one

C8H15NO — CID 167119866

IUPAC(5R)-5-butan-2-ylpyrrolidin-2-one
SMILESCCC(C)[C@H]1CCC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-6(2)7-4-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6?,7-/m1/s1
InChIKeyWIDDLGXADUIGFD-COBSHVIPSA-N
MW141.21 g/mol
LogP1.31
Rot. Bonds2

About (5R)-5-butan-2-ylpyrrolidin-2-one

(5R)-5-butan-2-ylpyrrolidin-2-one (PubChem CID 167119866) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (5R)-5-butan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-butan-2-ylpyrrolidin-2-one
PubChem CID167119866
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(5R)-5-butan-2-ylpyrrolidin-2-one
SMILESCCC(C)[C@H]1CCC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-6(2)7-4-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6?,7-/m1/s1
InChIKeyWIDDLGXADUIGFD-COBSHVIPSA-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

7-butan-2-yl-4-hydroxyazepan-2-one
CID 153293965
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
2-(5-oxopyrrolidin-2-yl)butanamide
CID 90190478
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
CID 146167866
3-butan-2-yl-1-prop-2-enyl-1,4-diazepane-2,5-dione
CID 64884724
3-butan-2-yl-1-(3,3-dimethylbutan-2-yl)-1,4-diazepane-2,5-dione
CID 104830298
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078
3-ethyl-2-(5-oxopyrrolidin-2-yl)heptanoic acid
CID 69101715
3-butan-2-yl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64883530

Frequently Asked Questions

What is the IUPAC name of (5R)-5-butan-2-ylpyrrolidin-2-one?
The IUPAC name of (5R)-5-butan-2-ylpyrrolidin-2-one (CID 167119866) is (5R)-5-butan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-butan-2-ylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-butan-2-ylpyrrolidin-2-one is CCC(C)[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-butan-2-ylpyrrolidin-2-one?
The InChIKey is WIDDLGXADUIGFD-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6(2)7-4-5-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6?,7-/m1/s1.
What are the key properties of (5R)-5-butan-2-ylpyrrolidin-2-one?
(5R)-5-butan-2-ylpyrrolidin-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 (5R)-5-butan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 167119866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).