1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone

C8H15NO — CID 59902800

IUPAC1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(C)CN1C
InChIInChI=1S/C8H15NO/c1-6-4-8(7(2)10)9(3)5-6/h6,8H,4-5H2,1-3H3/t6?,8-/m0/s1
InChIKeyMHCZKMVVIKMCOM-XDKWHASVSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds1

About 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone

1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone (PubChem CID 59902800) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
PubChem CID59902800
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(C)CN1C
InChIInChI=1S/C8H15NO/c1-6-4-8(7(2)10)9(3)5-6/h6,8H,4-5H2,1-3H3/t6?,8-/m0/s1
InChIKeyMHCZKMVVIKMCOM-XDKWHASVSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone (CID 59902800) is 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CC(C)CN1C.
What is the InChIKey of 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone?
The InChIKey is MHCZKMVVIKMCOM-XDKWHASVSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-8(7(2)10)9(3)5-6/h6,8H,4-5H2,1-3H3/t6?,8-/m0/s1.
What are the key properties of 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone?
1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1,4-dimethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59902800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).