5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one

C11H21NO2 — CID 58238921

IUPAC5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
SMILESCC(C)CC1(C(C)C)COCC(=O)N1
InChIInChI=1S/C11H21NO2/c1-8(2)5-11(9(3)4)7-14-6-10(13)12-11/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGJKVEGJMLGHBQW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds3

About 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one

5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one (PubChem CID 58238921) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
PubChem CID58238921
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
SMILESCC(C)CC1(C(C)C)COCC(=O)N1
InChIInChI=1S/C11H21NO2/c1-8(2)5-11(9(3)4)7-14-6-10(13)12-11/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyGJKVEGJMLGHBQW-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one?
The IUPAC name of 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one (CID 58238921) is 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one?
The canonical SMILES for 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one is CC(C)CC1(C(C)C)COCC(=O)N1.
What is the InChIKey of 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one?
The InChIKey is GJKVEGJMLGHBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)5-11(9(3)4)7-14-6-10(13)12-11/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one?
5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 58238921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).