3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one

C11H17NO3 — CID 102933207

IUPAC3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one
SMILESCC1CN(C2=CC(=O)CC2)CC(CO)O1
InChIInChI=1S/C11H17NO3/c1-8-5-12(6-11(7-13)15-8)9-2-3-10(14)4-9/h4,8,11,13H,2-3,5-7H2,1H3
InChIKeyVBKPEZDAYJWBLL-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.31
Rot. Bonds2

About 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one

3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one (PubChem CID 102933207) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one
PubChem CID102933207
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one
SMILESCC1CN(C2=CC(=O)CC2)CC(CO)O1
InChIInChI=1S/C11H17NO3/c1-8-5-12(6-11(7-13)15-8)9-2-3-10(14)4-9/h4,8,11,13H,2-3,5-7H2,1H3
InChIKeyVBKPEZDAYJWBLL-UHFFFAOYSA-N
XLogP0.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one (CID 102933207) is 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one is CC1CN(C2=CC(=O)CC2)CC(CO)O1.
What is the InChIKey of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one?
The InChIKey is VBKPEZDAYJWBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-5-12(6-11(7-13)15-8)9-2-3-10(14)4-9/h4,8,11,13H,2-3,5-7H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one?
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one has a molecular weight of 211.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 102933207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).