3-methyl-1-morpholin-2-ylbutan-2-one

C9H17NO2 — CID 116586136

IUPAC3-methyl-1-morpholin-2-ylbutan-2-one
SMILESCC(C)C(=O)CC1CNCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)5-8-6-10-3-4-12-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGKOVFGRCNDNVEB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.59
Rot. Bonds3

About 3-methyl-1-morpholin-2-ylbutan-2-one

3-methyl-1-morpholin-2-ylbutan-2-one (PubChem CID 116586136) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-1-morpholin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-methyl-1-morpholin-2-ylbutan-2-one
PubChem CID116586136
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methyl-1-morpholin-2-ylbutan-2-one
SMILESCC(C)C(=O)CC1CNCCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)5-8-6-10-3-4-12-8/h7-8,10H,3-6H2,1-2H3
InChIKeyGKOVFGRCNDNVEB-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
1-morpholin-2-ylbutan-2-one
CID 116586154
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
N-methyl-2-[(2-morpholin-2-ylacetyl)amino]propanamide
CID 66428310
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 102561586
2-morpholin-2-ylacetohydrazide
CID 66428542
N-[2-(dimethylamino)propyl]-2-morpholin-2-ylacetamide
CID 66428079
N-(4-methylpentyl)-2-morpholin-2-ylacetamide
CID 66428292
4-methyl-1-morpholin-2-ylpent-4-en-2-one
CID 116586358
2-methyl-N-[4-[(2-morpholin-2-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119685269
N-(4-methylsulfanylbutan-2-yl)-2-morpholin-2-ylacetamide
CID 115740086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-morpholin-2-ylbutan-2-one?
The IUPAC name of 3-methyl-1-morpholin-2-ylbutan-2-one (CID 116586136) is 3-methyl-1-morpholin-2-ylbutan-2-one.
What is the SMILES notation for 3-methyl-1-morpholin-2-ylbutan-2-one?
The canonical SMILES for 3-methyl-1-morpholin-2-ylbutan-2-one is CC(C)C(=O)CC1CNCCO1.
What is the InChIKey of 3-methyl-1-morpholin-2-ylbutan-2-one?
The InChIKey is GKOVFGRCNDNVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)5-8-6-10-3-4-12-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-morpholin-2-ylbutan-2-one?
3-methyl-1-morpholin-2-ylbutan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-morpholin-2-ylbutan-2-one is sourced from PubChem (CID 116586136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).