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

C11H17NO2 — CID 104787633

IUPAC3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1CN(C2=CC(=O)CC2)CC(C)O1
InChIInChI=1S/C11H17NO2/c1-8-6-12(7-9(2)14-8)10-3-4-11(13)5-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyMPSDQVHZRKBBBH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds1

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

3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one (PubChem CID 104787633) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one
PubChem CID104787633
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one
SMILESCC1CN(C2=CC(=O)CC2)CC(C)O1
InChIInChI=1S/C11H17NO2/c1-8-6-12(7-9(2)14-8)10-3-4-11(13)5-10/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyMPSDQVHZRKBBBH-UHFFFAOYSA-N
XLogP1.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Morpholin-4-ylcyclohex-2-en-1-one
CID 4373344
3-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-one
CID 4570259
2-Methyl-3-morpholin-4-ylcyclopent-2-en-1-one
CID 13761641
2-Cyclopenten-1-one, 2-(4-morpholinyl)-
CID 12287487
3-Morpholinocyclopent-2-en-1-one
CID 13761654
(E)-5-morpholin-4-ylhex-4-en-3-one
CID 134894545
Ethene;4-morpholin-4-ylcyclohex-3-en-1-one
CID 19870065
4-Morpholin-4-ylcyclopent-4-ene-1,3-dione
CID 131989608
(E)-4-morpholin-4-ylhex-3-en-2-one
CID 144558574
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
CID 2315542
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
CID 2315543
3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]cyclohex-2-en-1-one
CID 6596237

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one (CID 104787633) is 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one is CC1CN(C2=CC(=O)CC2)CC(C)O1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one?
The InChIKey is MPSDQVHZRKBBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-6-12(7-9(2)14-8)10-3-4-11(13)5-10/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one?
3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one has a molecular weight of 195.26 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).