2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one

C12H19NO3 — CID 23264855

IUPAC2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one
SMILESCC1(C)OC(CCN2CCOCC2)=CC1=O
InChIInChI=1S/C12H19NO3/c1-12(2)11(14)9-10(16-12)3-4-13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
InChIKeyOXKAMVBURWZXNO-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.97
Rot. Bonds3

About 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one

2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one (PubChem CID 23264855) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one
PubChem CID23264855
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one
SMILESCC1(C)OC(CCN2CCOCC2)=CC1=O
InChIInChI=1S/C12H19NO3/c1-12(2)11(14)9-10(16-12)3-4-13-5-7-15-8-6-13/h9H,3-8H2,1-2H3
InChIKeyOXKAMVBURWZXNO-UHFFFAOYSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one?
The IUPAC name of 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one (CID 23264855) is 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one?
The canonical SMILES for 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one is CC1(C)OC(CCN2CCOCC2)=CC1=O.
What is the InChIKey of 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one?
The InChIKey is OXKAMVBURWZXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2)11(14)9-10(16-12)3-4-13-5-7-15-8-6-13/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one?
2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-morpholin-4-ylethyl)furan-3-one is sourced from PubChem (CID 23264855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).