tert-butyl N-(1,2-dihydroazet-3-yl)carbamate

C8H14N2O2 — CID 68933246

IUPACtert-butyl N-(1,2-dihydroazet-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CNC1
InChIInChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h4,9H,5H2,1-3H3,(H,10,11)
InChIKeyCUUOVTZGPUAVDM-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.96
Rot. Bonds1

About tert-butyl N-(1,2-dihydroazet-3-yl)carbamate

tert-butyl N-(1,2-dihydroazet-3-yl)carbamate (PubChem CID 68933246) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is tert-butyl N-(1,2-dihydroazet-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2-dihydroazet-3-yl)carbamate
PubChem CID68933246
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nametert-butyl N-(1,2-dihydroazet-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CNC1
InChIInChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h4,9H,5H2,1-3H3,(H,10,11)
InChIKeyCUUOVTZGPUAVDM-UHFFFAOYSA-N
XLogP0.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2-dihydroazet-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,2-dihydroazet-3-yl)carbamate (CID 68933246) is tert-butyl N-(1,2-dihydroazet-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2-dihydroazet-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,2-dihydroazet-3-yl)carbamate is CC(C)(C)OC(=O)NC1=CNC1.
What is the InChIKey of tert-butyl N-(1,2-dihydroazet-3-yl)carbamate?
The InChIKey is CUUOVTZGPUAVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,3)12-7(11)10-6-4-9-5-6/h4,9H,5H2,1-3H3,(H,10,11).
What are the key properties of tert-butyl N-(1,2-dihydroazet-3-yl)carbamate?
tert-butyl N-(1,2-dihydroazet-3-yl)carbamate has a molecular weight of 170.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2-dihydroazet-3-yl)carbamate is sourced from PubChem (CID 68933246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).