tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate

C13H21NO3 — CID 141139117

IUPACtert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate
SMILESCCC(=O)N(C(=O)OC(C)(C)C)C1C=CCC1
InChIInChI=1S/C13H21NO3/c1-5-11(15)14(10-8-6-7-9-10)12(16)17-13(2,3)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyAHWRQMUKALHNOO-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.88
Rot. Bonds2

About tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate

tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate (PubChem CID 141139117) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate
PubChem CID141139117
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nametert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate
SMILESCCC(=O)N(C(=O)OC(C)(C)C)C1C=CCC1
InChIInChI=1S/C13H21NO3/c1-5-11(15)14(10-8-6-7-9-10)12(16)17-13(2,3)4/h6,8,10H,5,7,9H2,1-4H3
InChIKeyAHWRQMUKALHNOO-UHFFFAOYSA-N
XLogP2.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
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-cyclopent-2-en-1-yl-N-propanoylcarbamate?
The IUPAC name of tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate (CID 141139117) is tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate.
What is the SMILES notation for tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate?
The canonical SMILES for tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate is CCC(=O)N(C(=O)OC(C)(C)C)C1C=CCC1.
What is the InChIKey of tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate?
The InChIKey is AHWRQMUKALHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-11(15)14(10-8-6-7-9-10)12(16)17-13(2,3)4/h6,8,10H,5,7,9H2,1-4H3.
What are the key properties of tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate?
tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate has a molecular weight of 239.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopent-2-en-1-yl-N-propanoylcarbamate is sourced from PubChem (CID 141139117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).