tert-butyl 2,3-dihydroazete-3-carboxylate

C8H13NO2 — CID 168984140

IUPACtert-butyl 2,3-dihydroazete-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C=NC1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h4,6H,5H2,1-3H3
InChIKeyNKVGAMJXQUIDBE-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds1

About tert-butyl 2,3-dihydroazete-3-carboxylate

tert-butyl 2,3-dihydroazete-3-carboxylate (PubChem CID 168984140) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is tert-butyl 2,3-dihydroazete-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dihydroazete-3-carboxylate
PubChem CID168984140
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nametert-butyl 2,3-dihydroazete-3-carboxylate
SMILESCC(C)(C)OC(=O)C1C=NC1
InChIInChI=1S/C8H13NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h4,6H,5H2,1-3H3
InChIKeyNKVGAMJXQUIDBE-UHFFFAOYSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl 3-methyl-2H-azirine-2-carboxylate
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tert-butyl 1-benzylaziridine-2-carboxylate
CID 14666509
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dihydroazete-3-carboxylate?
The IUPAC name of tert-butyl 2,3-dihydroazete-3-carboxylate (CID 168984140) is tert-butyl 2,3-dihydroazete-3-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dihydroazete-3-carboxylate?
The canonical SMILES for tert-butyl 2,3-dihydroazete-3-carboxylate is CC(C)(C)OC(=O)C1C=NC1.
What is the InChIKey of tert-butyl 2,3-dihydroazete-3-carboxylate?
The InChIKey is NKVGAMJXQUIDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h4,6H,5H2,1-3H3.
What are the key properties of tert-butyl 2,3-dihydroazete-3-carboxylate?
tert-butyl 2,3-dihydroazete-3-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dihydroazete-3-carboxylate is sourced from PubChem (CID 168984140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).