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

C13H20N2O3 — CID 76783985

IUPACprop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N2CCC(C)C2=O)C1
InChIInChI=1S/C13H20N2O3/c1-3-8-18-13(17)14-6-5-11(9-14)15-7-4-10(2)12(15)16/h3,10-11H,1,4-9H2,2H3
InChIKeyHZFPNHNOUCJDRF-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.25
Rot. Bonds3

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

prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (PubChem CID 76783985) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
PubChem CID76783985
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameprop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(N2CCC(C)C2=O)C1
InChIInChI=1S/C13H20N2O3/c1-3-8-18-13(17)14-6-5-11(9-14)15-7-4-10(2)12(15)16/h3,10-11H,1,4-9H2,2H3
InChIKeyHZFPNHNOUCJDRF-UHFFFAOYSA-N
XLogP1.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.25
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

prop-2-enyl (3R)-3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 58430359
Prop-2-enyl 3-(3-methylbutanoylamino)pyrrolidine-1-carboxylate
CID 140090032
prop-2-enyl (3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 140986222
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 (3R)-3-(2,3-dioxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 176022809
Prop-2-enyl 4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568620
Tert-butyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168683486
tert-butyl (3R)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 168683487

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate (CID 76783985) is prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(N2CCC(C)C2=O)C1.
What is the InChIKey of prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
The InChIKey is HZFPNHNOUCJDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-8-18-13(17)14-6-5-11(9-14)15-7-4-10(2)12(15)16/h3,10-11H,1,4-9H2,2H3.
What are the key properties of prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate?
prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(3-methyl-2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 76783985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).