cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C12H19NO3 — CID 81208351

IUPACcyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1CC=CC1
InChIInChI=1S/C12H19NO3/c1-9-8-16-11(7-14)6-13(9)12(15)10-4-2-3-5-10/h2-3,9-11,14H,4-8H2,1H3
InChIKeyAZOPWGPIZPFTJS-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.56
Rot. Bonds2

About cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81208351) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81208351
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Namecyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)C1CC=CC1
InChIInChI=1S/C12H19NO3/c1-9-8-16-11(7-14)6-13(9)12(15)10-4-2-3-5-10/h2-3,9-11,14H,4-8H2,1H3
InChIKeyAZOPWGPIZPFTJS-UHFFFAOYSA-N
XLogP0.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81208351) is cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)C1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is AZOPWGPIZPFTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-8-16-11(7-14)6-13(9)12(15)10-4-2-3-5-10/h2-3,9-11,14H,4-8H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 225.29 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81208351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).