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

C11H21NO3 — CID 117008383

IUPAC2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
SMILESCCCCCN1CCOC(CCO)C1=O
InChIInChI=1S/C11H21NO3/c1-2-3-4-6-12-7-9-15-10(5-8-13)11(12)14/h10,13H,2-9H2,1H3
InChIKeyNXDJXPWRYWKHSV-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds6

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

2-(2-hydroxyethyl)-4-pentylmorpholin-3-one (PubChem CID 117008383) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
PubChem CID117008383
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
SMILESCCCCCN1CCOC(CCO)C1=O
InChIInChI=1S/C11H21NO3/c1-2-3-4-6-12-7-9-15-10(5-8-13)11(12)14/h10,13H,2-9H2,1H3
InChIKeyNXDJXPWRYWKHSV-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one (CID 117008383) is 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one is CCCCCN1CCOC(CCO)C1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one?
The InChIKey is NXDJXPWRYWKHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-4-6-12-7-9-15-10(5-8-13)11(12)14/h10,13H,2-9H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one?
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one has a molecular weight of 215.29 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-pentylmorpholin-3-one is sourced from PubChem (CID 117008383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).