1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one

C10H19NO2 — CID 79568260

IUPAC1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCOCC(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)8-13-3)11-6-4-5-7-11/h4-8H2,1-3H3
InChIKeyYCFIQSYKICUVLC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.08
Rot. Bonds4

About 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one

1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one (PubChem CID 79568260) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one.

Molecular Properties

Compound Name1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one
PubChem CID79568260
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one
SMILESCOCC(=O)C(C)(C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-10(2,9(12)8-13-3)11-6-4-5-7-11/h4-8H2,1-3H3
InChIKeyYCFIQSYKICUVLC-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-3-methyl-3-pyrrolidin-1-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

2-(azepan-1-yl)-6-methoxy-2-methylhexan-3-one
CID 114854025
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2-methyl-2-pyrrolidin-1-ylundecan-3-one
CID 79056598
2-(azepan-1-yl)-3-methoxy-2-methylpropanoic acid
CID 62535285
2-(azepan-1-yl)-2-methylundecan-3-one
CID 79050742
4-methyl-1-methylsulfonyl-4-piperidin-1-ylpentan-3-one
CID 79044995
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343
2-methyl-2-piperidin-1-yloct-6-yn-3-one
CID 104803362
1-(2-methoxy-5-methylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056851
3-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylbutan-2-one
CID 79056100
1-(4-ethylphenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-one
CID 79056191
1-(azocan-1-yl)-3-methoxypropan-2-one
CID 107507090

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The IUPAC name of 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one (CID 79568260) is 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one.
What is the SMILES notation for 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The canonical SMILES for 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one is COCC(=O)C(C)(C)N1CCCC1.
What is the InChIKey of 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
The InChIKey is YCFIQSYKICUVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,9(12)8-13-3)11-6-4-5-7-11/h4-8H2,1-3H3.
What are the key properties of 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one?
1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-3-pyrrolidin-1-ylbutan-2-one is sourced from PubChem (CID 79568260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).