tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate

C13H23NO4 — CID 143394150

IUPACtert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OCC.CC(C)(C)OC(N)=O
InChIInChI=1S/C8H12O2.C5H11NO2/c1-3-6-5-7(6)8(9)10-4-2;1-5(2,3)8-4(6)7/h3,6-7H,1,4-5H2,2H3;1-3H3,(H2,6,7)
InChIKeyHIONTGAUYOCPHP-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.25
Rot. Bonds3

About tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate

tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate (PubChem CID 143394150) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
PubChem CID143394150
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate
SMILESC=CC1CC1C(=O)OCC.CC(C)(C)OC(N)=O
InChIInChI=1S/C8H12O2.C5H11NO2/c1-3-6-5-7(6)8(9)10-4-2;1-5(2,3)8-4(6)7/h3,6-7H,1,4-5H2,2H3;1-3H3,(H2,6,7)
InChIKeyHIONTGAUYOCPHP-UHFFFAOYSA-N
XLogP2.25
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate (CID 143394150) is tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate is C=CC1CC1C(=O)OCC.CC(C)(C)OC(N)=O.
What is the InChIKey of tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate?
The InChIKey is HIONTGAUYOCPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2.C5H11NO2/c1-3-6-5-7(6)8(9)10-4-2;1-5(2,3)8-4(6)7/h3,6-7H,1,4-5H2,2H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate?
tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;ethyl 2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 143394150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).