3-methyl-1-morpholin-4-ylbutan-1-one

C9H17NO2 — CID 4557865

IUPAC3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(2)7-9(11)10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyMEJSGHHRMQZWHL-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About 3-methyl-1-morpholin-4-ylbutan-1-one

3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 4557865) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID4557865
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C9H17NO2/c1-8(2)7-9(11)10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyMEJSGHHRMQZWHL-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze 3-methyl-1-morpholin-4-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3-methyl-1-morpholin-4-ylbutan-1-one (CID 4557865) is 3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is MEJSGHHRMQZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(2)7-9(11)10-3-5-12-6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-morpholin-4-ylbutan-1-one?
3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 4557865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).