[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate

C11H17NO3 — CID 102184617

IUPAC[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
SMILESC=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O
InChIInChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1
InChIKeyQMOGQAOFOODOKL-WDEREUQCSA-N
MW211.26 g/mol
LogP1.12
Rot. Bonds3

About [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate

[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate (PubChem CID 102184617) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
PubChem CID102184617
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate
SMILESC=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O
InChIInChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1
InChIKeyQMOGQAOFOODOKL-WDEREUQCSA-N
XLogP1.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl acetate
CID 538333
(4-ethenylpiperidin-1-yl)methyl acetate
CID 54261484
(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine
CID 174066669
ethyl (2R,6S)-2-(acetyloxymethyl)-6-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 10830766
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
2-[(2R,5S)-1-acetyl-5-(aminomethyl)pyrrolidin-2-yl]acetamide
CID 71299010
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
thian-4-ylmethyl acetate
CID 129067655
tert-butyl (2S,3S)-2-(acetyloxymethyl)-3-ethenylaziridine-1-carboxylate
CID 71512781
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
methyl N-[(2S)-1-[(2S,5S)-2-formyl-5-prop-2-enylpyrrolidin-1-yl]-1-oxopent-4-en-2-yl]carbamate
CID 88901883
[(1R)-2-(1-hydroxyprop-2-enyl)cyclobutyl]methyl acetate
CID 167090767

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The IUPAC name of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate (CID 102184617) is [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate.
What is the SMILES notation for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The canonical SMILES for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate is C=C[C@H]1CC[C@H](COC(C)=O)N1C(C)=O.
What is the InChIKey of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
The InChIKey is QMOGQAOFOODOKL-WDEREUQCSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-10-5-6-11(7-15-9(3)14)12(10)8(2)13/h4,10-11H,1,5-7H2,2-3H3/t10-,11+/m0/s1.
What are the key properties of [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate?
[(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate has a molecular weight of 211.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-acetyl-5-ethenylpyrrolidin-2-yl]methyl acetate is sourced from PubChem (CID 102184617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).