1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C11H21NO2 — CID 59440881

IUPAC1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC[C@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAJDDUBQNTUXBMF-VIFPVBQESA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 59440881) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID59440881
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCOC[C@H]1CCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAJDDUBQNTUXBMF-VIFPVBQESA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 59440881) is 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is COC[C@H]1CCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is AJDDUBQNTUXBMF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)10(13)12-6-5-9(7-12)8-14-4/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 59440881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).