2-methyl-1-morpholin-4-ylpropan-1-one

C8H15NO2 — CID 532132

IUPAC2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3
InChIKeyGSBBRQAUAKEVIN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds1

About 2-methyl-1-morpholin-4-ylpropan-1-one

2-methyl-1-morpholin-4-ylpropan-1-one (PubChem CID 532132) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-ylpropan-1-one
PubChem CID532132
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-1-morpholin-4-ylpropan-1-one
SMILESCC(C)C(=O)N1CCOCC1
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3
InChIKeyGSBBRQAUAKEVIN-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-ylpropan-1-one (CID 532132) is 2-methyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-ylpropan-1-one is CC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is GSBBRQAUAKEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8(10)9-3-5-11-6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-morpholin-4-ylpropan-1-one?
2-methyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 532132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).