tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate

C14H24N2O3 — CID 143285980

IUPACtert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-5-8-11(12(17)16-9-6-7-10-16)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyUFCUJOWLJMURAH-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate

tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate (PubChem CID 143285980) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate
PubChem CID143285980
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate
SMILESC=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H24N2O3/c1-5-8-11(12(17)16-9-6-7-10-16)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18)
InChIKeyUFCUJOWLJMURAH-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate (CID 143285980) is tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate is C=CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate?
The InChIKey is UFCUJOWLJMURAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-8-11(12(17)16-9-6-7-10-16)15-13(18)19-14(2,3)4/h5,11H,1,6-10H2,2-4H3,(H,15,18).
What are the key properties of tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate?
tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate has a molecular weight of 268.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-oxo-1-pyrrolidin-1-ylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 143285980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).