6-methyl-3-(2-methylpropyl)morpholin-2-one

C9H17NO2 — CID 123163568

IUPAC6-methyl-3-(2-methylpropyl)morpholin-2-one
SMILESCC(C)CC1NCC(C)OC1=O
InChIInChI=1S/C9H17NO2/c1-6(2)4-8-9(11)12-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyRUERBYGMGDZQLA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About 6-methyl-3-(2-methylpropyl)morpholin-2-one

6-methyl-3-(2-methylpropyl)morpholin-2-one (PubChem CID 123163568) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)morpholin-2-one.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)morpholin-2-one
PubChem CID123163568
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name6-methyl-3-(2-methylpropyl)morpholin-2-one
SMILESCC(C)CC1NCC(C)OC1=O
InChIInChI=1S/C9H17NO2/c1-6(2)4-8-9(11)12-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3
InChIKeyRUERBYGMGDZQLA-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)morpholin-2-one?
The IUPAC name of 6-methyl-3-(2-methylpropyl)morpholin-2-one (CID 123163568) is 6-methyl-3-(2-methylpropyl)morpholin-2-one.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)morpholin-2-one?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)morpholin-2-one is CC(C)CC1NCC(C)OC1=O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)morpholin-2-one?
The InChIKey is RUERBYGMGDZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)4-8-9(11)12-7(3)5-10-8/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 6-methyl-3-(2-methylpropyl)morpholin-2-one?
6-methyl-3-(2-methylpropyl)morpholin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)morpholin-2-one is sourced from PubChem (CID 123163568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).