2-(2-hydroxyethyl)-4-methylmorpholin-3-one

C7H13NO3 — CID 15395515

IUPAC2-(2-hydroxyethyl)-4-methylmorpholin-3-one
SMILESCN1CCOC(CCO)C1=O
InChIInChI=1S/C7H13NO3/c1-8-3-5-11-6(2-4-9)7(8)10/h6,9H,2-5H2,1H3
InChIKeyNNCGQSDGMKRNSX-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.77
Rot. Bonds2

About 2-(2-hydroxyethyl)-4-methylmorpholin-3-one

2-(2-hydroxyethyl)-4-methylmorpholin-3-one (PubChem CID 15395515) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-methylmorpholin-3-one
PubChem CID15395515
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(2-hydroxyethyl)-4-methylmorpholin-3-one
SMILESCN1CCOC(CCO)C1=O
InChIInChI=1S/C7H13NO3/c1-8-3-5-11-6(2-4-9)7(8)10/h6,9H,2-5H2,1H3
InChIKeyNNCGQSDGMKRNSX-UHFFFAOYSA-N
XLogP-0.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-methylmorpholin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-methylmorpholin-3-one (CID 15395515) is 2-(2-hydroxyethyl)-4-methylmorpholin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-methylmorpholin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-methylmorpholin-3-one is CN1CCOC(CCO)C1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-methylmorpholin-3-one?
The InChIKey is NNCGQSDGMKRNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8-3-5-11-6(2-4-9)7(8)10/h6,9H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-4-methylmorpholin-3-one?
2-(2-hydroxyethyl)-4-methylmorpholin-3-one has a molecular weight of 159.18 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 15395515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).