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

C13H18N2O4 — CID 140986223

IUPACprop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N2CCC(C=O)C2=O)C1
InChIInChI=1S/C13H18N2O4/c1-2-7-19-13(18)14-5-4-11(8-14)15-6-3-10(9-16)12(15)17/h2,9-11H,1,3-8H2
InChIKeyFVRVGFMKFBAARR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.43
Rot. Bonds4

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

prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 140986223) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID140986223
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameprop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N2CCC(C=O)C2=O)C1
InChIInChI=1S/C13H18N2O4/c1-2-7-19-13(18)14-5-4-11(8-14)15-6-3-10(9-16)12(15)17/h2,9-11H,1,3-8H2
InChIKeyFVRVGFMKFBAARR-UHFFFAOYSA-N
XLogP0.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430359
Prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 76783985
prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 140986222
prop-2-enyl (3R)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 141012520
prop-2-enyl (3R)-3-(2,3-dioxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 176022809

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 140986223) is prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(N2CCC(C=O)C2=O)C1.
What is the InChIKey of prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is FVRVGFMKFBAARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-7-19-13(18)14-5-4-11(8-14)15-6-3-10(9-16)12(15)17/h2,9-11H,1,3-8H2.
What are the key properties of prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(3-formyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 140986223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).