(3-ethenylpyrrolidin-1-yl) acetate

C8H13NO2 — CID 169150395

IUPAC(3-ethenylpyrrolidin-1-yl) acetate
SMILESC=CC1CCN(OC(C)=O)C1
InChIInChI=1S/C8H13NO2/c1-3-8-4-5-9(6-8)11-7(2)10/h3,8H,1,4-6H2,2H3
InChIKeyDSJAECXHBHDNQA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds2

About (3-ethenylpyrrolidin-1-yl) acetate

(3-ethenylpyrrolidin-1-yl) acetate (PubChem CID 169150395) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (3-ethenylpyrrolidin-1-yl) acetate.

Molecular Properties

Compound Name(3-ethenylpyrrolidin-1-yl) acetate
PubChem CID169150395
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(3-ethenylpyrrolidin-1-yl) acetate
SMILESC=CC1CCN(OC(C)=O)C1
InChIInChI=1S/C8H13NO2/c1-3-8-4-5-9(6-8)11-7(2)10/h3,8H,1,4-6H2,2H3
InChIKeyDSJAECXHBHDNQA-UHFFFAOYSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
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

(4-ethenylpiperidin-1-yl)methyl acetate
CID 54261484
azepan-1-yl acetate
CID 67537261
(3S)-3-ethenyl-1-methylpyrrolidine
CID 134577901
4-ethenyl-N-methoxypiperidine-1-carboxamide
CID 127013276
benzene;piperidin-1-yl acetate
CID 66953580
2-amino-1-[(3S)-3-ethenylpyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 171544765
1,3-bis(ethenyl)pyrrolidine
CID 121376426
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
1,3-oxazinan-3-yl acetate
CID 10486979
piperazin-1-yl acetate
CID 54492305
[(3S)-3-acetylpyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174712806
4-ethenyl-1-methylpiperidine;hydrochloride
CID 173358659

Frequently Asked Questions

What is the IUPAC name of (3-ethenylpyrrolidin-1-yl) acetate?
The IUPAC name of (3-ethenylpyrrolidin-1-yl) acetate (CID 169150395) is (3-ethenylpyrrolidin-1-yl) acetate.
What is the SMILES notation for (3-ethenylpyrrolidin-1-yl) acetate?
The canonical SMILES for (3-ethenylpyrrolidin-1-yl) acetate is C=CC1CCN(OC(C)=O)C1.
What is the InChIKey of (3-ethenylpyrrolidin-1-yl) acetate?
The InChIKey is DSJAECXHBHDNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-8-4-5-9(6-8)11-7(2)10/h3,8H,1,4-6H2,2H3.
What are the key properties of (3-ethenylpyrrolidin-1-yl) acetate?
(3-ethenylpyrrolidin-1-yl) acetate has a molecular weight of 155.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylpyrrolidin-1-yl) acetate is sourced from PubChem (CID 169150395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).