[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate

C12H17NO3 — CID 134925756

IUPAC[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
SMILESC=CC[C@H]1[C@H](OC(C)=O)CC(=O)N1CC=C
InChIInChI=1S/C12H17NO3/c1-4-6-10-11(16-9(3)14)8-12(15)13(10)7-5-2/h4-5,10-11H,1-2,6-8H2,3H3/t10-,11+/m0/s1
InChIKeyYVNGEYSGUSOTSD-WDEREUQCSA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds5

About [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate

[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate (PubChem CID 134925756) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
PubChem CID134925756
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
SMILESC=CC[C@H]1[C@H](OC(C)=O)CC(=O)N1CC=C
InChIInChI=1S/C12H17NO3/c1-4-6-10-11(16-9(3)14)8-12(15)13(10)7-5-2/h4-5,10-11H,1-2,6-8H2,3H3/t10-,11+/m0/s1
InChIKeyYVNGEYSGUSOTSD-WDEREUQCSA-N
XLogP1.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate (CID 134925756) is [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate is C=CC[C@H]1[C@H](OC(C)=O)CC(=O)N1CC=C.
What is the InChIKey of [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The InChIKey is YVNGEYSGUSOTSD-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-6-10-11(16-9(3)14)8-12(15)13(10)7-5-2/h4-5,10-11H,1-2,6-8H2,3H3/t10-,11+/m0/s1.
What are the key properties of [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
[(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate has a molecular weight of 223.27 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 134925756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).