(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one

C11H21NO2 — CID 176934125

IUPAC(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one
SMILESCCC(C)[C@@H]1COCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO2/c1-5-9(4)10-6-14-7-11(13)12(10)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyGAJLZNXZSWPEEP-AXDSSHIGSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one

(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one (PubChem CID 176934125) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one
PubChem CID176934125
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one
SMILESCCC(C)[C@@H]1COCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO2/c1-5-9(4)10-6-14-7-11(13)12(10)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1
InChIKeyGAJLZNXZSWPEEP-AXDSSHIGSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one?
The IUPAC name of (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one (CID 176934125) is (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one is CCC(C)[C@@H]1COCC(=O)N1C(C)C.
What is the InChIKey of (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one?
The InChIKey is GAJLZNXZSWPEEP-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9(4)10-6-14-7-11(13)12(10)8(2)3/h8-10H,5-7H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one?
(5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-butan-2-yl-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 176934125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).