2-butyl-4-morpholin-4-yl-2H-furan-5-one

C12H19NO3 — CID 121008918

IUPAC2-butyl-4-morpholin-4-yl-2H-furan-5-one
SMILESCCCCC1C=C(N2CCOCC2)C(=O)O1
InChIInChI=1S/C12H19NO3/c1-2-3-4-10-9-11(12(14)16-10)13-5-7-15-8-6-13/h9-10H,2-8H2,1H3
InChIKeyHXLFXVHEBPYLCS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.32
Rot. Bonds4

About 2-butyl-4-morpholin-4-yl-2H-furan-5-one

2-butyl-4-morpholin-4-yl-2H-furan-5-one (PubChem CID 121008918) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-butyl-4-morpholin-4-yl-2H-furan-5-one.

Molecular Properties

Compound Name2-butyl-4-morpholin-4-yl-2H-furan-5-one
PubChem CID121008918
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-butyl-4-morpholin-4-yl-2H-furan-5-one
SMILESCCCCC1C=C(N2CCOCC2)C(=O)O1
InChIInChI=1S/C12H19NO3/c1-2-3-4-10-9-11(12(14)16-10)13-5-7-15-8-6-13/h9-10H,2-8H2,1H3
InChIKeyHXLFXVHEBPYLCS-UHFFFAOYSA-N
XLogP1.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-butyl-4-morpholin-4-yl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-morpholin-4-ylpent-2-enoate
CID 174899035
(2-Morpholin-4-ylcyclohex-2-en-1-yl) acetate
CID 10799215
2-cyclopropyl-4-morpholin-4-yl-2H-furan-5-one
CID 46832447
4-morpholin-4-yl-2-pent-4-ynyl-2H-furan-5-one
CID 46832448

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-morpholin-4-yl-2H-furan-5-one?
The IUPAC name of 2-butyl-4-morpholin-4-yl-2H-furan-5-one (CID 121008918) is 2-butyl-4-morpholin-4-yl-2H-furan-5-one.
What is the SMILES notation for 2-butyl-4-morpholin-4-yl-2H-furan-5-one?
The canonical SMILES for 2-butyl-4-morpholin-4-yl-2H-furan-5-one is CCCCC1C=C(N2CCOCC2)C(=O)O1.
What is the InChIKey of 2-butyl-4-morpholin-4-yl-2H-furan-5-one?
The InChIKey is HXLFXVHEBPYLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-10-9-11(12(14)16-10)13-5-7-15-8-6-13/h9-10H,2-8H2,1H3.
What are the key properties of 2-butyl-4-morpholin-4-yl-2H-furan-5-one?
2-butyl-4-morpholin-4-yl-2H-furan-5-one has a molecular weight of 225.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-morpholin-4-yl-2H-furan-5-one is sourced from PubChem (CID 121008918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).