1-morpholin-2-ylbutan-2-one

C8H15NO2 — CID 116586154

IUPAC1-morpholin-2-ylbutan-2-one
SMILESCCC(=O)CC1CNCCO1
InChIInChI=1S/C8H15NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h8-9H,2-6H2,1H3
InChIKeyBXQWAMZVGJPGSP-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.34
Rot. Bonds3

About 1-morpholin-2-ylbutan-2-one

1-morpholin-2-ylbutan-2-one (PubChem CID 116586154) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-morpholin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-morpholin-2-ylbutan-2-one
PubChem CID116586154
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-morpholin-2-ylbutan-2-one
SMILESCCC(=O)CC1CNCCO1
InChIInChI=1S/C8H15NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h8-9H,2-6H2,1H3
InChIKeyBXQWAMZVGJPGSP-UHFFFAOYSA-N
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-morpholin-2-ylbutan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-1-morpholin-2-ylpent-4-en-2-one
CID 116586358
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-ethylsulfonyl-2-morpholin-2-ylacetamide
CID 103306746
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
N-(3-ethylpentan-3-yl)-2-morpholin-2-ylacetamide
CID 66428123
2-morpholin-2-ylacetohydrazide
CID 66428542
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
butyl 2-morpholin-2-ylacetate
CID 66434235
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
N-[(2S)-1-hydroxybutan-2-yl]-2-morpholin-2-ylacetamide
CID 107222428
1-(2-ethylmorpholin-4-yl)-2-morpholin-2-ylethanone
CID 66432993

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-2-ylbutan-2-one?
The IUPAC name of 1-morpholin-2-ylbutan-2-one (CID 116586154) is 1-morpholin-2-ylbutan-2-one.
What is the SMILES notation for 1-morpholin-2-ylbutan-2-one?
The canonical SMILES for 1-morpholin-2-ylbutan-2-one is CCC(=O)CC1CNCCO1.
What is the InChIKey of 1-morpholin-2-ylbutan-2-one?
The InChIKey is BXQWAMZVGJPGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7(10)5-8-6-9-3-4-11-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-morpholin-2-ylbutan-2-one?
1-morpholin-2-ylbutan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-2-ylbutan-2-one is sourced from PubChem (CID 116586154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).