tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate

C10H20N2O2 — CID 59533926

IUPACtert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate
SMILESCNC/C=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h5-6,11H,7-8H2,1-4H3,(H,12,13)/b6-5-
InChIKeyWQBXBAPTDHCCEF-WAYWQWQTSA-N
MW200.28 g/mol
LogP1.29
Rot. Bonds4

About tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate

tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate (PubChem CID 59533926) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate
PubChem CID59533926
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate
SMILESCNC/C=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h5-6,11H,7-8H2,1-4H3,(H,12,13)/b6-5-
InChIKeyWQBXBAPTDHCCEF-WAYWQWQTSA-N
XLogP1.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-[(Z)-4-(methylamino)but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate (CID 59533926) is tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate is CNC/C=C\CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate?
The InChIKey is WQBXBAPTDHCCEF-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-6-5-7-11-4/h5-6,11H,7-8H2,1-4H3,(H,12,13)/b6-5-.
What are the key properties of tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate?
tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-(methylamino)but-2-enyl]carbamate is sourced from PubChem (CID 59533926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).