1-butyl-3-propan-2-ylpyrrolidin-2-one

C11H21NO — CID 139951375

IUPAC1-butyl-3-propan-2-ylpyrrolidin-2-one
SMILESCCCCN1CCC(C(C)C)C1=O
InChIInChI=1S/C11H21NO/c1-4-5-7-12-8-6-10(9(2)3)11(12)13/h9-10H,4-8H2,1-3H3
InChIKeyUYQOHOFBJVYAAX-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.29
Rot. Bonds4

About 1-butyl-3-propan-2-ylpyrrolidin-2-one

1-butyl-3-propan-2-ylpyrrolidin-2-one (PubChem CID 139951375) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-butyl-3-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-3-propan-2-ylpyrrolidin-2-one
PubChem CID139951375
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-butyl-3-propan-2-ylpyrrolidin-2-one
SMILESCCCCN1CCC(C(C)C)C1=O
InChIInChI=1S/C11H21NO/c1-4-5-7-12-8-6-10(9(2)3)11(12)13/h9-10H,4-8H2,1-3H3
InChIKeyUYQOHOFBJVYAAX-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 45088613
3-hydroxy-1-pentylpyrrolidin-2-one
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(1-butyl-2-oxopyrrolidin-3-yl)-triphenylphosphanium bromide
CID 10672424
1-butyl-5-propan-2-ylpiperidin-2-one
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1,3-dibutylimidazolidin-2-one
CID 20887
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
3-dodecyl-1-propylpyrrolidin-2-one
CID 10149503
4-benzhydryl-1-butylpiperidin-2-one
CID 21135971
3-bromo-1-(5-methylhexyl)pyrrolidin-2-one
CID 115326986
3-propan-2-yl-1-(3-propoxypropyl)-1,4-diazepane-2,5-dione
CID 82947185
1-(4-butyl-4-methylnonyl)-3-methylpyrrolidin-2-one
CID 167256372

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-butyl-3-propan-2-ylpyrrolidin-2-one (CID 139951375) is 1-butyl-3-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-butyl-3-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-butyl-3-propan-2-ylpyrrolidin-2-one is CCCCN1CCC(C(C)C)C1=O.
What is the InChIKey of 1-butyl-3-propan-2-ylpyrrolidin-2-one?
The InChIKey is UYQOHOFBJVYAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-7-12-8-6-10(9(2)3)11(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-butyl-3-propan-2-ylpyrrolidin-2-one?
1-butyl-3-propan-2-ylpyrrolidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 139951375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).