tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate

C15H26N2O3 — CID 168683859

IUPACtert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate
SMILESC=CC1CC(=O)N(CCCN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-6-12-10-13(18)17(11-12)9-7-8-16(5)14(19)20-15(2,3)4/h6,12H,1,7-11H2,2-5H3
InChIKeyJMQKFBASKYUGLS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.28
Rot. Bonds5

About tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate

tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate (PubChem CID 168683859) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate
PubChem CID168683859
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate
SMILESC=CC1CC(=O)N(CCCN(C)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-6-12-10-13(18)17(11-12)9-7-8-16(5)14(19)20-15(2,3)4/h6,12H,1,7-11H2,2-5H3
InChIKeyJMQKFBASKYUGLS-UHFFFAOYSA-N
XLogP2.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.28
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

tert-Butyl 3-ethenylpyrrolidine-1-carboxylate
CID 53302213
(R)-tert-Butyl 4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
CID 24881979
3,3-Diallyl-1-Boc-pyrrolidin-2-one
CID 53493020
tert-butyl (3R)-3-[methyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-1-carboxylate
CID 99819866
Tert-butyl 3-ethenyl-4-fluoropyrrolidine-1-carboxylate
CID 123593235
Tert-butyl 2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134881248
tert-butyl (4S)-2-oxo-4-prop-2-enylpyrrolidine-1-carboxylate
CID 134895615
tert-butyl (3S,4S)-3-ethenyl-4-formylpyrrolidine-1-carboxylate
CID 134946976
Tert-butyl 4-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-4-fluoropiperidine-1-carboxylate
CID 168683868
Tert-butyl 3-ethenyl-4-methylidenepyrrolidine-1-carboxylate
CID 14868130
tert-Butyl 3-allyl-2-oxopyrrolidine-1-carboxylate
CID 10846824
Ethenyl acetate;3-ethenyl-1-methylpyrrolidin-2-one
CID 22226132

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate (CID 168683859) is tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate is C=CC1CC(=O)N(CCCN(C)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate?
The InChIKey is JMQKFBASKYUGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-12-10-13(18)17(11-12)9-7-8-16(5)14(19)20-15(2,3)4/h6,12H,1,7-11H2,2-5H3.
What are the key properties of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate?
tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate has a molecular weight of 282.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)propyl]-N-methylcarbamate is sourced from PubChem (CID 168683859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).