tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate

C15H26N2O3 — CID 168683537

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

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

tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate (PubChem CID 168683537) 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)-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate
PubChem CID168683537
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate
SMILESC=CC1CC(=O)N(CC(C)CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H26N2O3/c1-6-12-7-13(18)17(10-12)9-11(2)8-16-14(19)20-15(3,4)5/h6,11-12H,1,7-10H2,2-5H3,(H,16,19)
InChIKeySQJRCNPQHLUUPK-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-(tert-Butoxycarbonyl)amino-4-vinylpyrrolidine
CID 22880744
tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate
CID 143285980
tert-butyl (3R)-3-ethenyl-2-oxopyrrolidine-1-carboxylate
CID 153991743
tert-butyl formate;(3R)-3-ethenylpyrrolidin-2-one
CID 159197862
Tert-butyl formate;3-ethenylpyrrolidin-2-one
CID 159197863
tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-N-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-pent-4-enylamino]-4-oxobutyl]carbamate
CID 176905115
tert-butyl N-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]methyl]carbamate
CID 178119540
tert-butyl N-(4-ethenylpyrrolidin-3-yl)carbamate
CID 18939349
N-[(1-methylpyrrolidin-3-yl)methyl]pent-4-enamide
CID 53541147
tert-butyl N-[3-(pent-4-enoylamino)propyl]carbamate
CID 60250785
1-[3-(Methylaminomethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 63263402
tert-butyl N-methyl-N-[4-(pent-4-enoylamino)butan-2-yl]carbamate
CID 71931654

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate (CID 168683537) is tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate is C=CC1CC(=O)N(CC(C)CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate?
The InChIKey is SQJRCNPQHLUUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-6-12-7-13(18)17(10-12)9-11(2)8-16-14(19)20-15(3,4)5/h6,11-12H,1,7-10H2,2-5H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate?
tert-butyl N-[3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-methylpropyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 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)-2-methylpropyl]carbamate is sourced from PubChem (CID 168683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).