tert-butyl N-[(Z)-hex-1-enyl]carbamate

C11H21NO2 — CID 102157869

IUPACtert-butyl N-[(Z)-hex-1-enyl]carbamate
SMILESCCCC/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/b9-8-
InChIKeyXPYZVIXJVLADRN-HJWRWDBZSA-N
MW199.29 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl N-[(Z)-hex-1-enyl]carbamate

tert-butyl N-[(Z)-hex-1-enyl]carbamate (PubChem CID 102157869) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-[(Z)-hex-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-hex-1-enyl]carbamate
PubChem CID102157869
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-[(Z)-hex-1-enyl]carbamate
SMILESCCCC/C=C\NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/b9-8-
InChIKeyXPYZVIXJVLADRN-HJWRWDBZSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-hex-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-hex-1-enyl]carbamate (CID 102157869) is tert-butyl N-[(Z)-hex-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-hex-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-hex-1-enyl]carbamate is CCCC/C=C\NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-hex-1-enyl]carbamate?
The InChIKey is XPYZVIXJVLADRN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-12-10(13)14-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)/b9-8-.
What are the key properties of tert-butyl N-[(Z)-hex-1-enyl]carbamate?
tert-butyl N-[(Z)-hex-1-enyl]carbamate has a molecular weight of 199.29 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-hex-1-enyl]carbamate is sourced from PubChem (CID 102157869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).