3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one

C13H21NO2 — CID 102744215

IUPAC3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1(C)CN(C2=CC(=O)CC2)CC(C)(C)O1
InChIInChI=1S/C13H21NO2/c1-12(2)8-14(9-13(3,4)16-12)10-5-6-11(15)7-10/h7H,5-6,8-9H2,1-4H3
InChIKeyFAWGOJBBVDKBNY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds1

About 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one

3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one (PubChem CID 102744215) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one
PubChem CID102744215
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1(C)CN(C2=CC(=O)CC2)CC(C)(C)O1
InChIInChI=1S/C13H21NO2/c1-12(2)8-14(9-13(3,4)16-12)10-5-6-11(15)7-10/h7H,5-6,8-9H2,1-4H3
InChIKeyFAWGOJBBVDKBNY-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one (CID 102744215) is 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one is CC1(C)CN(C2=CC(=O)CC2)CC(C)(C)O1.
What is the InChIKey of 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one?
The InChIKey is FAWGOJBBVDKBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-12(2)8-14(9-13(3,4)16-12)10-5-6-11(15)7-10/h7H,5-6,8-9H2,1-4H3.
What are the key properties of 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one?
3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6,6-tetramethylmorpholin-4-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 102744215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).