prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate

C12H18N2O3 — CID 140986222

IUPACprop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-17-12(16)13-7-5-10(9-13)14-6-3-4-11(14)15/h2,10H,1,3-9H2/t10-/m0/s1
InChIKeySGOSDYDTWBXONA-JTQLQIEISA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds3

About prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate

prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 140986222) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID140986222
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameprop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-8-17-12(16)13-7-5-10(9-13)14-6-3-4-11(14)15/h2,10H,1,3-9H2/t10-/m0/s1
InChIKeySGOSDYDTWBXONA-JTQLQIEISA-N
XLogP1.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
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

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prop-2-enyl (3S)-3-(3-bromo-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
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prop-2-enyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
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Prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 140986223
prop-2-enyl (3R)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 141012520
Prop-2-enyl 3-(3-chloro-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 175581906
prop-2-enyl (3R)-3-(2,3-dioxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 140986222) is prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CC[C@H](N2CCCC2=O)C1.
What is the InChIKey of prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is SGOSDYDTWBXONA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-8-17-12(16)13-7-5-10(9-13)14-6-3-4-11(14)15/h2,10H,1,3-9H2/t10-/m0/s1.
What are the key properties of prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 140986222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).