5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one

C10H19NO3 — CID 91395256

IUPAC5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one
SMILESCCC(O)C1COC(=O)C(C)(C)N1C
InChIInChI=1S/C10H19NO3/c1-5-8(12)7-6-14-9(13)10(2,3)11(7)4/h7-8,12H,5-6H2,1-4H3
InChIKeyJCPCEDATJOYGRK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.39
Rot. Bonds2

About 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one

5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one (PubChem CID 91395256) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one.

Molecular Properties

Compound Name5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one
PubChem CID91395256
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one
SMILESCCC(O)C1COC(=O)C(C)(C)N1C
InChIInChI=1S/C10H19NO3/c1-5-8(12)7-6-14-9(13)10(2,3)11(7)4/h7-8,12H,5-6H2,1-4H3
InChIKeyJCPCEDATJOYGRK-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one?
The IUPAC name of 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one (CID 91395256) is 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one.
What is the SMILES notation for 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one?
The canonical SMILES for 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one is CCC(O)C1COC(=O)C(C)(C)N1C.
What is the InChIKey of 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one?
The InChIKey is JCPCEDATJOYGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-8(12)7-6-14-9(13)10(2,3)11(7)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one?
5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one has a molecular weight of 201.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxypropyl)-3,3,4-trimethylmorpholin-2-one is sourced from PubChem (CID 91395256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).