1-(3-propan-2-ylmorpholin-4-yl)ethanone

C9H17NO2 — CID 59556514

IUPAC1-(3-propan-2-ylmorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9-6-12-5-4-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyGUDGBSMGOXAIFV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds1

About 1-(3-propan-2-ylmorpholin-4-yl)ethanone

1-(3-propan-2-ylmorpholin-4-yl)ethanone (PubChem CID 59556514) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(3-propan-2-ylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-ylmorpholin-4-yl)ethanone
PubChem CID59556514
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(3-propan-2-ylmorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1C(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)9-6-12-5-4-10(9)8(3)11/h7,9H,4-6H2,1-3H3
InChIKeyGUDGBSMGOXAIFV-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-propan-2-ylmorpholin-4-yl)ethanone (CID 59556514) is 1-(3-propan-2-ylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-ylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-ylmorpholin-4-yl)ethanone is CC(=O)N1CCOCC1C(C)C.
What is the InChIKey of 1-(3-propan-2-ylmorpholin-4-yl)ethanone?
The InChIKey is GUDGBSMGOXAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9-6-12-5-4-10(9)8(3)11/h7,9H,4-6H2,1-3H3.
What are the key properties of 1-(3-propan-2-ylmorpholin-4-yl)ethanone?
1-(3-propan-2-ylmorpholin-4-yl)ethanone has a molecular weight of 171.24 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylmorpholin-4-yl)ethanone is sourced from PubChem (CID 59556514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).