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

C9H17NO2 — CID 15106385

IUPAC3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(C)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-12-2)9(11)10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKeyZCRJSSVRBAFTPS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

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

3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 15106385) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID15106385
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCC(C)C(=O)N1CCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-12-2)9(11)10-5-3-4-6-10/h8H,3-7H2,1-2H3
InChIKeyZCRJSSVRBAFTPS-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1-(3-Fluoropyrrolidin-1-yl)-3-methoxypropan-1-one
CID 165388220
(3-Fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160
N,N-Diethyl-3-methoxy-propionamide
CID 11961971
3-Methoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14597433
3-methoxy-N,N-dipropylpropanamide
CID 14669956
3-(Methoxymethyl)-1-methylpyrrolidin-2-one
CID 20062381
3-Hydroxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 53951160
3-Hydroxy-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 54104902
1-(3-Methoxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 59176309
1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 59440881
N-(3-methoxypropyl)-N,2-dimethylpropanamide
CID 61832210
N,N-diethyloxolane-3-carboxamide
CID 61832947

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 15106385) is 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one is COCC(C)C(=O)N1CCCC1.
What is the InChIKey of 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZCRJSSVRBAFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-12-2)9(11)10-5-3-4-6-10/h8H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one?
3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 15106385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).