4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one

C13H19NO2 — CID 584879

IUPAC4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one
SMILESO=C1C=C(N2CCOCC2)C2CCCC1C2
InChIInChI=1S/C13H19NO2/c15-13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(13)8-10/h9-11H,1-8H2
InChIKeyLRMWJWPPYHYTHQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.59
Rot. Bonds1

About 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one

4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one (PubChem CID 584879) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one.

Molecular Properties

Compound Name4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one
PubChem CID584879
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one
SMILESO=C1C=C(N2CCOCC2)C2CCCC1C2
InChIInChI=1S/C13H19NO2/c15-13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(13)8-10/h9-11H,1-8H2
InChIKeyLRMWJWPPYHYTHQ-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one?
The IUPAC name of 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one (CID 584879) is 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one.
What is the SMILES notation for 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one?
The canonical SMILES for 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one is O=C1C=C(N2CCOCC2)C2CCCC1C2.
What is the InChIKey of 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one?
The InChIKey is LRMWJWPPYHYTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(13)8-10/h9-11H,1-8H2.
What are the key properties of 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one?
4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one is sourced from PubChem (CID 584879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).