(5S)-5-(2-ethylpentyl)morpholin-3-one

C11H21NO2 — CID 145497271

IUPAC(5S)-5-(2-ethylpentyl)morpholin-3-one
SMILESCCCC(CC)C[C@H]1COCC(=O)N1
InChIInChI=1S/C11H21NO2/c1-3-5-9(4-2)6-10-7-14-8-11(13)12-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t9?,10-/m0/s1
InChIKeyUFXYRPLTHUUWKY-AXDSSHIGSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About (5S)-5-(2-ethylpentyl)morpholin-3-one

(5S)-5-(2-ethylpentyl)morpholin-3-one (PubChem CID 145497271) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (5S)-5-(2-ethylpentyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-(2-ethylpentyl)morpholin-3-one
PubChem CID145497271
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(5S)-5-(2-ethylpentyl)morpholin-3-one
SMILESCCCC(CC)C[C@H]1COCC(=O)N1
InChIInChI=1S/C11H21NO2/c1-3-5-9(4-2)6-10-7-14-8-11(13)12-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t9?,10-/m0/s1
InChIKeyUFXYRPLTHUUWKY-AXDSSHIGSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-ethylpentyl)morpholin-3-one?
The IUPAC name of (5S)-5-(2-ethylpentyl)morpholin-3-one (CID 145497271) is (5S)-5-(2-ethylpentyl)morpholin-3-one.
What is the SMILES notation for (5S)-5-(2-ethylpentyl)morpholin-3-one?
The canonical SMILES for (5S)-5-(2-ethylpentyl)morpholin-3-one is CCCC(CC)C[C@H]1COCC(=O)N1.
What is the InChIKey of (5S)-5-(2-ethylpentyl)morpholin-3-one?
The InChIKey is UFXYRPLTHUUWKY-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-9(4-2)6-10-7-14-8-11(13)12-10/h9-10H,3-8H2,1-2H3,(H,12,13)/t9?,10-/m0/s1.
What are the key properties of (5S)-5-(2-ethylpentyl)morpholin-3-one?
(5S)-5-(2-ethylpentyl)morpholin-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-ethylpentyl)morpholin-3-one is sourced from PubChem (CID 145497271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).