1-butan-2-yloxypyrrolidin-2-one

C8H15NO2 — CID 163678451

IUPAC1-butan-2-yloxypyrrolidin-2-one
SMILESCCC(C)ON1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-3-7(2)11-9-6-4-5-8(9)10/h7H,3-6H2,1-2H3
InChIKeyJITFXHGMANMLML-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.34
Rot. Bonds3

About 1-butan-2-yloxypyrrolidin-2-one

1-butan-2-yloxypyrrolidin-2-one (PubChem CID 163678451) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-butan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-butan-2-yloxypyrrolidin-2-one
PubChem CID163678451
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-butan-2-yloxypyrrolidin-2-one
SMILESCCC(C)ON1CCCC1=O
InChIInChI=1S/C8H15NO2/c1-3-7(2)11-9-6-4-5-8(9)10/h7H,3-6H2,1-2H3
InChIKeyJITFXHGMANMLML-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-butan-2-yloxypyrrolidin-2-one (CID 163678451) is 1-butan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-butan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-butan-2-yloxypyrrolidin-2-one is CCC(C)ON1CCCC1=O.
What is the InChIKey of 1-butan-2-yloxypyrrolidin-2-one?
The InChIKey is JITFXHGMANMLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7(2)11-9-6-4-5-8(9)10/h7H,3-6H2,1-2H3.
What are the key properties of 1-butan-2-yloxypyrrolidin-2-one?
1-butan-2-yloxypyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 163678451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).