4-propan-2-ylmorpholin-3-one

C7H13NO2 — CID 21027200

IUPAC4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOCC1=O
InChIInChI=1S/C7H13NO2/c1-6(2)8-3-4-10-5-7(8)9/h6H,3-5H2,1-2H3
InChIKeyIIYIYDOKNRRIEQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds1

About 4-propan-2-ylmorpholin-3-one

4-propan-2-ylmorpholin-3-one (PubChem CID 21027200) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name4-propan-2-ylmorpholin-3-one
PubChem CID21027200
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOCC1=O
InChIInChI=1S/C7H13NO2/c1-6(2)8-3-4-10-5-7(8)9/h6H,3-5H2,1-2H3
InChIKeyIIYIYDOKNRRIEQ-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylmorpholin-3-one?
The IUPAC name of 4-propan-2-ylmorpholin-3-one (CID 21027200) is 4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 4-propan-2-ylmorpholin-3-one?
The canonical SMILES for 4-propan-2-ylmorpholin-3-one is CC(C)N1CCOCC1=O.
What is the InChIKey of 4-propan-2-ylmorpholin-3-one?
The InChIKey is IIYIYDOKNRRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(2)8-3-4-10-5-7(8)9/h6H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-ylmorpholin-3-one?
4-propan-2-ylmorpholin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 21027200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).