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

C12H17NO3 — CID 101115559

IUPAC[(2R,3S)-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+/m1/s1
InChIKeyYVNGEYSGUSOTSD-MNOVXSKESA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds5

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

[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate (PubChem CID 101115559) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate
PubChem CID101115559
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name[(2R,3S)-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+/m1/s1
InChIKeyYVNGEYSGUSOTSD-MNOVXSKESA-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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Related Compounds

dimethyl 5-oxo-1,2-bis(prop-2-enyl)pyrrolidine-3,3-dicarboxylate
CID 135040675
[(2S,3S,4R)-4-acetyloxy-1-methyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 10879681
[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate
CID 125475412
methyl (2S,3S,4R)-4-acetyloxy-2,3-bis(prop-2-enyl)pyrrolidine-1-carboxylate
CID 11391500
but-3-enyl 2-(2-acetyloxy-4-oxoazetidin-1-yl)acetate
CID 10800127
[(2R,3R,4S)-4-acetyloxy-1-benzyl-5-oxo-2-prop-2-enylpyrrolidin-3-yl] acetate
CID 102012893
[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
CID 139646465
1-O-tert-butyl 2-O-methyl (2S,4R,5R)-4-acetyloxy-5-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 91459128
diethyl 2-ethoxy-5-oxo-1-prop-2-enylpyrrolidine-3,3-dicarboxylate
CID 135019100
(5S)-1,5-bis(prop-2-enyl)pyrrolidin-2-one
CID 11286664
2-(3-amino-2-oxo-4-prop-2-enylazetidin-1-yl)-3-methylbut-2-enoic acid
CID 57254553
[(1R,2R)-2-acetyloxycyclopentyl] acetate;[(1R,2R)-2-hydroxycyclopentyl] acetate;trans-(1R,2R)-cyclopentane-1,2-diol;trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 161267552

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The IUPAC name of [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate (CID 101115559) is [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The canonical SMILES for [(2R,3S)-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 [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
The InChIKey is YVNGEYSGUSOTSD-MNOVXSKESA-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+/m1/s1.
What are the key properties of [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate?
[(2R,3S)-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 [(2R,3S)-5-oxo-1,2-bis(prop-2-enyl)pyrrolidin-3-yl] acetate is sourced from PubChem (CID 101115559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).