3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

C12H19NO3 — CID 54074287

IUPAC3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCCCCC1CCN(C2CCOC2=O)C1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-9-5-7-13(11(9)14)10-6-8-16-12(10)15/h9-10H,2-8H2,1H3
InChIKeyMIPMBNQWELGKAM-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.34
Rot. Bonds4

About 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one

3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (PubChem CID 54074287) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
PubChem CID54074287
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one
SMILESCCCCC1CCN(C2CCOC2=O)C1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-9-5-7-13(11(9)14)10-6-8-16-12(10)15/h9-10H,2-8H2,1H3
InChIKeyMIPMBNQWELGKAM-UHFFFAOYSA-N
XLogP1.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one (CID 54074287) is 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is CCCCC1CCN(C2CCOC2=O)C1=O.
What is the InChIKey of 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
The InChIKey is MIPMBNQWELGKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-9-5-7-13(11(9)14)10-6-8-16-12(10)15/h9-10H,2-8H2,1H3.
What are the key properties of 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one?
3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(2-oxooxolan-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 54074287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).