1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane

C10H21NO — CID 145255131

IUPAC1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C8H15NO.C2H6/c1-6-4-5-7(2)9(6)8(3)10;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7-;/m1./s1
InChIKeyIEYYYKARXPXLLX-ZJLYAJKPSA-N
MW171.28 g/mol
LogP2.43
Rot. Bonds

About 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane

1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane (PubChem CID 145255131) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
PubChem CID145255131
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
SMILESCC.CC(=O)N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C8H15NO.C2H6/c1-6-4-5-7(2)9(6)8(3)10;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7-;/m1./s1
InChIKeyIEYYYKARXPXLLX-ZJLYAJKPSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
(2S,5S)-2,5-dimethylpyrrolidine-1-carbothioic S-acid
CID 88721529
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
2-bromo-1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone
CID 45080682
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
1-(4-ethyl-2,6-dimethylpiperazin-1-yl)ethanone
CID 131132044
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
CID 142269040
(2,5-dimethylpyrrolidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130610130
1-acetyl-2-methyl-2,3,3a,4,5,6a-hexahydrocyclopenta[b]pyrrol-6-one
CID 71434771
1-[2-methyl-6-(methylaminomethyl)piperidin-1-yl]ethanone
CID 166977860

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane (CID 145255131) is 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane is CC.CC(=O)N1[C@H](C)CC[C@H]1C.
What is the InChIKey of 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane?
The InChIKey is IEYYYKARXPXLLX-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-6-4-5-7(2)9(6)8(3)10;1-2/h6-7H,4-5H2,1-3H3;1-2H3/t6-,7-;/m1./s1.
What are the key properties of 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane?
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane has a molecular weight of 171.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane is sourced from PubChem (CID 145255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).