tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate

C16H26N2O3 — CID 168683499

IUPACtert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O3/c1-5-12-9-14(19)17(10-12)11-13-7-6-8-18(13)15(20)21-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12?,13-/m1/s1
InChIKeyJIVIOZLTLRALTR-ZGTCLIOFSA-N
MW294.40 g/mol
LogP2.42
Rot. Bonds3

About tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 168683499) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID168683499
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate
SMILESC=CC1CC(=O)N(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O3/c1-5-12-9-14(19)17(10-12)11-13-7-6-8-18(13)15(20)21-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12?,13-/m1/s1
InChIKeyJIVIOZLTLRALTR-ZGTCLIOFSA-N
XLogP2.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.42
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

tert-butyl (2R,3R)-3-ethenyl-5-oxo-2-(tritiomethyl)pyrrolidine-1-carboxylate
CID 58134982
tert-butyl (3R)-3-ethenyl-2-[(5R)-2-ethenyl-5-ethylpyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 58134992
Tert-butyl 2-[hex-5-enyl(methyl)carbamoyl]-4-methylpyrrolidine-1-carboxylate
CID 90729926
tert-butyl (2S,3R)-3-ethenyl-5-oxo-2-(tritiomethyl)pyrrolidine-1-carboxylate
CID 123486758
tert-butyl (2S,4R)-2-(2-ethenylpyrrolidine-1-carbonyl)-4-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
CID 144118658
tert-butyl N-[[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 71870548
tert-butyl N-[[(2S)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517781
tert-butyl N-[[(2R)-1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96517782
tert-butyl (1S,5R)-6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 168683426
tert-butyl (1R,5S)-3-(4-ethenyl-2-oxopyrrolidin-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 168683427
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 tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate (CID 168683499) is tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate is C=CC1CC(=O)N(C[C@H]2CCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is JIVIOZLTLRALTR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-12-9-14(19)17(10-12)11-13-7-6-8-18(13)15(20)21-16(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12?,13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 168683499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).