3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one

C12H20N2O2 — CID 114400483

IUPAC3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCCN1CCOC(CNC2=CC(=O)CC2)C1
InChIInChI=1S/C12H20N2O2/c1-2-14-5-6-16-12(9-14)8-13-10-3-4-11(15)7-10/h7,12-13H,2-6,8-9H2,1H3
InChIKeyZNONBKCMDJIYNR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds4

About 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one

3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one (PubChem CID 114400483) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one
PubChem CID114400483
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one
SMILESCCN1CCOC(CNC2=CC(=O)CC2)C1
InChIInChI=1S/C12H20N2O2/c1-2-14-5-6-16-12(9-14)8-13-10-3-4-11(15)7-10/h7,12-13H,2-6,8-9H2,1H3
InChIKeyZNONBKCMDJIYNR-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-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 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one (CID 114400483) is 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one is CCN1CCOC(CNC2=CC(=O)CC2)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one?
The InChIKey is ZNONBKCMDJIYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-14-5-6-16-12(9-14)8-13-10-3-4-11(15)7-10/h7,12-13H,2-6,8-9H2,1H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one?
3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 114400483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).