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

C12H21NO2 — CID 135044027

IUPACtert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5/h6-8H,2,9-10H2,1,3-5H3/b8-6+
InChIKeyLWHOIUJZHYKUQK-SOFGYWHQSA-N
MW211.30 g/mol
LogP2.99
Rot. Bonds4

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

tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate (PubChem CID 135044027) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate
PubChem CID135044027
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate
SMILESC=CCN(C/C=C/C)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO2/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5/h6-8H,2,9-10H2,1,3-5H3/b8-6+
InChIKeyLWHOIUJZHYKUQK-SOFGYWHQSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl 2,2-dimethyl-2,5-dihydro-1H-pyrrole-1-carboxylate
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Tert-butyl N-(2-bromoprop-2-EN-1-YL)-N-(prop-2-EN-1-YL)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate (CID 135044027) is tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate is C=CCN(C/C=C/C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate?
The InChIKey is LWHOIUJZHYKUQK-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-8-10-13(9-7-2)11(14)15-12(3,4)5/h6-8H,2,9-10H2,1,3-5H3/b8-6+.
What are the key properties of tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-but-2-enyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 135044027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).