tert-butyl carbamate;molecular nitrogen

C5H11N3O2 — CID 176888665

IUPACtert-butyl carbamate;molecular nitrogen
SMILESCC(C)(C)OC(N)=O.N#N
InChIInChI=1S/C5H11NO2.N2/c1-5(2,3)8-4(6)7;1-2/h1-3H3,(H2,6,7);
InChIKeyYDUILDMUWBDLGD-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.91
Rot. Bonds

About tert-butyl carbamate;molecular nitrogen

tert-butyl carbamate;molecular nitrogen (PubChem CID 176888665) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is tert-butyl carbamate;molecular nitrogen.

Molecular Properties

Compound Nametert-butyl carbamate;molecular nitrogen
PubChem CID176888665
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Nametert-butyl carbamate;molecular nitrogen
SMILESCC(C)(C)OC(N)=O.N#N
InChIInChI=1S/C5H11NO2.N2/c1-5(2,3)8-4(6)7;1-2/h1-3H3,(H2,6,7);
InChIKeyYDUILDMUWBDLGD-UHFFFAOYSA-N
XLogP0.91
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl carbamate;cyclopropyne
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tert-butyl carbamate;1,4-diazabicyclo[2.2.2]octane
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tert-butyl carbamate;2,4-dimethylpentane
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tert-butyl carbamate;cyclobutanol
CID 143474652
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;ethane;piperidine
CID 143654925
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
1-azabicyclo[2.2.0]hexane;tert-butyl carbamate;hydrochloride
CID 174531198
tert-butyl carbamate;1-methylsulfonylpropane
CID 174621331
benzoic acid;tert-butyl carbamate;methanethiol
CID 168913847
ditert-butyl oxalate;hydrazine
CID 88669499

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;molecular nitrogen?
The IUPAC name of tert-butyl carbamate;molecular nitrogen (CID 176888665) is tert-butyl carbamate;molecular nitrogen.
What is the SMILES notation for tert-butyl carbamate;molecular nitrogen?
The canonical SMILES for tert-butyl carbamate;molecular nitrogen is CC(C)(C)OC(N)=O.N#N.
What is the InChIKey of tert-butyl carbamate;molecular nitrogen?
The InChIKey is YDUILDMUWBDLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.N2/c1-5(2,3)8-4(6)7;1-2/h1-3H3,(H2,6,7);.
What are the key properties of tert-butyl carbamate;molecular nitrogen?
tert-butyl carbamate;molecular nitrogen has a molecular weight of 145.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;molecular nitrogen is sourced from PubChem (CID 176888665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).