3-morpholin-4-ylcyclobut-2-en-1-one

C8H11NO2 — CID 25057264

IUPAC3-morpholin-4-ylcyclobut-2-en-1-one
SMILESO=C1C=C(N2CCOCC2)C1
InChIInChI=1S/C8H11NO2/c10-8-5-7(6-8)9-1-3-11-4-2-9/h5H,1-4,6H2
InChIKeyJZMWEAZULQTVBR-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.18
Rot. Bonds1

About 3-morpholin-4-ylcyclobut-2-en-1-one

3-morpholin-4-ylcyclobut-2-en-1-one (PubChem CID 25057264) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-morpholin-4-ylcyclobut-2-en-1-one.

Molecular Properties

Compound Name3-morpholin-4-ylcyclobut-2-en-1-one
PubChem CID25057264
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-morpholin-4-ylcyclobut-2-en-1-one
SMILESO=C1C=C(N2CCOCC2)C1
InChIInChI=1S/C8H11NO2/c10-8-5-7(6-8)9-1-3-11-4-2-9/h5H,1-4,6H2
InChIKeyJZMWEAZULQTVBR-UHFFFAOYSA-N
XLogP0.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylcyclobut-2-en-1-one?
The IUPAC name of 3-morpholin-4-ylcyclobut-2-en-1-one (CID 25057264) is 3-morpholin-4-ylcyclobut-2-en-1-one.
What is the SMILES notation for 3-morpholin-4-ylcyclobut-2-en-1-one?
The canonical SMILES for 3-morpholin-4-ylcyclobut-2-en-1-one is O=C1C=C(N2CCOCC2)C1.
What is the InChIKey of 3-morpholin-4-ylcyclobut-2-en-1-one?
The InChIKey is JZMWEAZULQTVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-5-7(6-8)9-1-3-11-4-2-9/h5H,1-4,6H2.
What are the key properties of 3-morpholin-4-ylcyclobut-2-en-1-one?
3-morpholin-4-ylcyclobut-2-en-1-one has a molecular weight of 153.18 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylcyclobut-2-en-1-one is sourced from PubChem (CID 25057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).