1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

C8H15NO2 — CID 12939064

IUPAC1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H15NO2/c1-7(10)9-5-3-4-8(9)6-11-2/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyCHHFWMYJQPSGBM-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds2

About 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 12939064) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID12939064
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
SMILESCOC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H15NO2/c1-7(10)9-5-3-4-8(9)6-11-2/h8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyCHHFWMYJQPSGBM-QMMMGPOBSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone (CID 12939064) is 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is COC[C@@H]1CCCN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is CHHFWMYJQPSGBM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(10)9-5-3-4-8(9)6-11-2/h8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 12939064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).