3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

C11H22N2O2 — CID 119539844

IUPAC3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)COC)C1
InChIInChI=1S/C11H22N2O2/c1-9(8-15-3)11(14)13-5-4-10(7-13)6-12-2/h9-10,12H,4-8H2,1-3H3
InChIKeyDCMOXISTDXLVDZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds5

About 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one

3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 119539844) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID119539844
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
SMILESCNCC1CCN(C(=O)C(C)COC)C1
InChIInChI=1S/C11H22N2O2/c1-9(8-15-3)11(14)13-5-4-10(7-13)6-12-2/h9-10,12H,4-8H2,1-3H3
InChIKeyDCMOXISTDXLVDZ-UHFFFAOYSA-N
XLogP0.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-2-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119544189
2-cyclopropyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81478302
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 119541976
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119542361
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
2-but-3-enoxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119542360
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119395667
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one (CID 119539844) is 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is CNCC1CCN(C(=O)C(C)COC)C1.
What is the InChIKey of 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DCMOXISTDXLVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-15-3)11(14)13-5-4-10(7-13)6-12-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one?
3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 119539844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).