1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone

C10H17NO — CID 59911310

IUPAC1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESC=C[C@H]1[C@H](C)C[C@H](C(C)=O)N1C
InChIInChI=1S/C10H17NO/c1-5-9-7(2)6-10(8(3)12)11(9)4/h5,7,9-10H,1,6H2,2-4H3/t7-,9+,10-/m1/s1
InChIKeyDAJAADIBNBHILV-FKTZTGRPSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds2

About 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone

1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone (PubChem CID 59911310) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone
PubChem CID59911310
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESC=C[C@H]1[C@H](C)C[C@H](C(C)=O)N1C
InChIInChI=1S/C10H17NO/c1-5-9-7(2)6-10(8(3)12)11(9)4/h5,7,9-10H,1,6H2,2-4H3/t7-,9+,10-/m1/s1
InChIKeyDAJAADIBNBHILV-FKTZTGRPSA-N
XLogP1.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-1-(2-methylideneheptyl)pyrrolidin-2-yl]ethanone
CID 90662586
1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone
CID 357791
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-Methyl-2,3,3a,4,5,7a-hexahydroindol-2-yl)ethanone
CID 18740776
1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
CID 18740795
1-[(2S)-1-deuterio-4-methyl-5-prop-2-enylpyrrolidin-2-yl]ethanone
CID 57776803
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)-2,2-dimethylpropan-1-one
CID 58341311
1-(1-Tert-butyl-3-prop-2-enylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 58341336
1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 58605246
1-[(2S)-1-methyl-4,4-bis(prop-2-enyl)pyrrolidin-2-yl]ethanone
CID 58605517
1-(1-Methyl-3-prop-2-enylpyrrolidin-2-yl)ethanone
CID 58850045
1-[(2S)-1-(oxoboranylmethyl)-4-prop-2-enylpyrrolidin-2-yl]ethanone
CID 59895176

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone (CID 59911310) is 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone is C=C[C@H]1[C@H](C)C[C@H](C(C)=O)N1C.
What is the InChIKey of 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone?
The InChIKey is DAJAADIBNBHILV-FKTZTGRPSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9-7(2)6-10(8(3)12)11(9)4/h5,7,9-10H,1,6H2,2-4H3/t7-,9+,10-/m1/s1.
What are the key properties of 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone?
1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5S)-5-ethenyl-1,4-dimethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).