1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone

C10H15NO2 — CID 143064141

IUPAC1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone
SMILESC=C[C@H]1CCN(C(C)=O)[C@@H]1C(C)=O
InChIInChI=1S/C10H15NO2/c1-4-9-5-6-11(8(3)13)10(9)7(2)12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyNWZNENYXIFTLKC-VHSXEESVSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds2

About 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone

1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone (PubChem CID 143064141) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone
PubChem CID143064141
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone
SMILESC=C[C@H]1CCN(C(C)=O)[C@@H]1C(C)=O
InChIInChI=1S/C10H15NO2/c1-4-9-5-6-11(8(3)13)10(9)7(2)12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1
InChIKeyNWZNENYXIFTLKC-VHSXEESVSA-N
XLogP1.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.00
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

(1S,5R)-6-propan-2-yl-6-azabicyclo[3.2.1]oct-3-ene-7,8-dione
CID 11052225
1-(2-But-3-enoylpyrrolidin-1-yl)propane-1,2-dione
CID 20647193
3,3-Dimethyl-1-(2-pent-4-enoylpyrrolidinyl)pentane-1,2-dione
CID 22257788
(2S)-1-[(2S,4S)-2-acetyl-4-methylpyrrolidin-1-yl]-2-methylpent-4-en-1-one
CID 58215025
(5S)-5-acetyl-1-methyl-3-prop-2-enylpyrrolidin-2-one
CID 58605212
(5S)-5-acetyl-1-methyl-3,3-bis(prop-2-enyl)pyrrolidin-2-one
CID 58605319
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
1-[(3S)-2-acetyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 67561746
1-(2-Acetyl-4-methylpyrrolidin-1-yl)-2-methylpent-4-en-1-one
CID 67960914
1-(3-Ethenyl-1-methylpyrrolidin-2-yl)ethanone
CID 68267196
1-(1-Ethyl-3-prop-2-enylpyrrolidin-2-yl)propan-1-one
CID 68300069

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone (CID 143064141) is 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone is C=C[C@H]1CCN(C(C)=O)[C@@H]1C(C)=O.
What is the InChIKey of 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone?
The InChIKey is NWZNENYXIFTLKC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-9-5-6-11(8(3)13)10(9)7(2)12/h4,9-10H,1,5-6H2,2-3H3/t9-,10+/m0/s1.
What are the key properties of 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone?
1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone has a molecular weight of 181.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-1-acetyl-3-ethenylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 143064141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).