4-tert-butylmorpholin-3-one

C8H15NO2 — CID 20703244

IUPAC4-tert-butylmorpholin-3-one
SMILESCC(C)(C)N1CCOCC1=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)9-4-5-11-6-7(9)10/h4-6H2,1-3H3
InChIKeyPBTXUAZQOMQGJO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds

About 4-tert-butylmorpholin-3-one

4-tert-butylmorpholin-3-one (PubChem CID 20703244) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-tert-butylmorpholin-3-one.

Molecular Properties

Compound Name4-tert-butylmorpholin-3-one
PubChem CID20703244
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-tert-butylmorpholin-3-one
SMILESCC(C)(C)N1CCOCC1=O
InChIInChI=1S/C8H15NO2/c1-8(2,3)9-4-5-11-6-7(9)10/h4-6H2,1-3H3
InChIKeyPBTXUAZQOMQGJO-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholin-3-one?
The IUPAC name of 4-tert-butylmorpholin-3-one (CID 20703244) is 4-tert-butylmorpholin-3-one.
What is the SMILES notation for 4-tert-butylmorpholin-3-one?
The canonical SMILES for 4-tert-butylmorpholin-3-one is CC(C)(C)N1CCOCC1=O.
What is the InChIKey of 4-tert-butylmorpholin-3-one?
The InChIKey is PBTXUAZQOMQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,3)9-4-5-11-6-7(9)10/h4-6H2,1-3H3.
What are the key properties of 4-tert-butylmorpholin-3-one?
4-tert-butylmorpholin-3-one has a molecular weight of 157.21 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholin-3-one is sourced from PubChem (CID 20703244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).