1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone

C9H15NO — CID 70337882

IUPAC1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone
SMILESC=CC[C@H]1CCN[C@@H]1C(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-10-9(8)7(2)11/h3,8-10H,1,4-6H2,2H3/t8-,9+/m0/s1
InChIKeyJUJXMAXIXGSAAK-DTWKUNHWSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds3

About 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone

1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone (PubChem CID 70337882) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone
PubChem CID70337882
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone
SMILESC=CC[C@H]1CCN[C@@H]1C(C)=O
InChIInChI=1S/C9H15NO/c1-3-4-8-5-6-10-9(8)7(2)11/h3,8-10H,1,4-6H2,2H3/t8-,9+/m0/s1
InChIKeyJUJXMAXIXGSAAK-DTWKUNHWSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone (CID 70337882) is 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone is C=CC[C@H]1CCN[C@@H]1C(C)=O.
What is the InChIKey of 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone?
The InChIKey is JUJXMAXIXGSAAK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-8-5-6-10-9(8)7(2)11/h3,8-10H,1,4-6H2,2H3/t8-,9+/m0/s1.
What are the key properties of 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone?
1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-prop-2-enylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 70337882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).