tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate

C14H25NO2 — CID 138493731

IUPACtert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCC/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-9-10-12-15(11-7-2)13(16)17-14(3,4)5/h6-8H,2,9-12H2,1,3-5H3/b8-6+
InChIKeyJLYAOMAKDNYCQR-SOFGYWHQSA-N
MW239.36 g/mol
LogP3.77
Rot. Bonds6

About tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate

tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate (PubChem CID 138493731) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate
PubChem CID138493731
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nametert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCC/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO2/c1-6-8-9-10-12-15(11-7-2)13(16)17-14(3,4)5/h6-8H,2,9-12H2,1,3-5H3/b8-6+
InChIKeyJLYAOMAKDNYCQR-SOFGYWHQSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate (CID 138493731) is tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate is C=CCN(CCC/C=C/C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate?
The InChIKey is JLYAOMAKDNYCQR-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-6-8-9-10-12-15(11-7-2)13(16)17-14(3,4)5/h6-8H,2,9-12H2,1,3-5H3/b8-6+.
What are the key properties of tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate has a molecular weight of 239.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-hex-4-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 138493731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).