1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one

C10H19NO2 — CID 116560655

IUPAC1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCOC1CNC(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(12)8-5-7(13-4)6-11-8/h7-8,11H,5-6H2,1-4H3
InChIKeyYZGRXAPYUNJJJU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.98
Rot. Bonds2

About 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one

1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 116560655) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID116560655
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
SMILESCOC1CNC(C(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(12)8-5-7(13-4)6-11-8/h7-8,11H,5-6H2,1-4H3
InChIKeyYZGRXAPYUNJJJU-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-4-methoxypyrrolidine-2-carboxylate
CID 54187646
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
1-[(2S,4S)-4-hydroxypyrrolidin-2-yl]ethanone;1-[(2R)-4-methoxypyrrolidin-2-yl]ethanone;1-[(2S)-4-methoxypyrrolidin-2-yl]ethanone
CID 91335246
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
(2S,4S)-N,4-dimethoxypyrrolidine-2-carboxamide;hydrochloride
CID 130657923
propan-2-yl 4-methoxypyrrolidine-2-carboxylate
CID 43628494
4,4,4-trifluoro-1-(4-methoxypyrrolidin-2-yl)butan-1-one
CID 116560728
N-cyclopentyloxy-4-methoxypyrrolidine-2-carboxamide
CID 83235213
4-methoxy-N-propan-2-ylpyrrolidine-2-carboxamide
CID 61213428
(2R,4R)-4-methoxypyrrolidine-2-carbothioamide
CID 87536382
(4-methylcyclohexyl) 4-methoxypyrrolidine-2-carboxylate
CID 61278026

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one (CID 116560655) is 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one is COC1CNC(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is YZGRXAPYUNJJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)9(12)8-5-7(13-4)6-11-8/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one?
1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 116560655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).