3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen

C11H22N2O — CID 156885487

IUPAC3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen
SMILESC=C[C@@H]1CCCN1CCC(=O)NCC.[H][H]
InChIInChI=1S/C11H20N2O.H2/c1-3-10-6-5-8-13(10)9-7-11(14)12-4-2;/h3,10H,1,4-9H2,2H3,(H,12,14);1H/t10-;/m1./s1
InChIKeyLJTUDOYPVKNFEV-HNCPQSOCSA-N
MW198.31 g/mol
LogP1.41
Rot. Bonds5

About 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen

3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen (PubChem CID 156885487) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen.

Molecular Properties

Compound Name3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen
PubChem CID156885487
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen
SMILESC=C[C@@H]1CCCN1CCC(=O)NCC.[H][H]
InChIInChI=1S/C11H20N2O.H2/c1-3-10-6-5-8-13(10)9-7-11(14)12-4-2;/h3,10H,1,4-9H2,2H3,(H,12,14);1H/t10-;/m1./s1
InChIKeyLJTUDOYPVKNFEV-HNCPQSOCSA-N
XLogP1.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
CID 114338248
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
N-ethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539534
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407
1-dodecyl-2-ethenylpyrrolidine
CID 5143353
N-ethyl-2-(2-formylpiperidin-1-yl)acetamide
CID 62655143
1-butyl-2-ethenylpyrrolidine
CID 11332575
2-ethenyl-1-propylpiperidine
CID 13181247

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen?
The IUPAC name of 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen (CID 156885487) is 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen.
What is the SMILES notation for 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen?
The canonical SMILES for 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen is C=C[C@@H]1CCCN1CCC(=O)NCC.[H][H].
What is the InChIKey of 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen?
The InChIKey is LJTUDOYPVKNFEV-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H20N2O.H2/c1-3-10-6-5-8-13(10)9-7-11(14)12-4-2;/h3,10H,1,4-9H2,2H3,(H,12,14);1H/t10-;/m1./s1.
What are the key properties of 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen?
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen has a molecular weight of 198.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide;molecular hydrogen is sourced from PubChem (CID 156885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).