1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone

C8H15NO — CID 10898813

IUPAC1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6-4-5-7(2)9(6)8(3)10/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyMMWXQPVKFGTXCE-BQBZGAKWSA-N
MW141.21 g/mol
LogP1.41
Rot. Bonds

About 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone

1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone (PubChem CID 10898813) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone
PubChem CID10898813
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C8H15NO/c1-6-4-5-7(2)9(6)8(3)10/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1
InChIKeyMMWXQPVKFGTXCE-BQBZGAKWSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone (CID 10898813) is 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone is CC(=O)N1[C@@H](C)CC[C@@H]1C.
What is the InChIKey of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone?
The InChIKey is MMWXQPVKFGTXCE-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-4-5-7(2)9(6)8(3)10/h6-7H,4-5H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone?
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone has a molecular weight of 141.21 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10898813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).