tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate

C14H16N2O2 — CID 164883537

IUPACtert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ncccc2C2=CC1C2
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-10-7-9(8-10)11-5-4-6-15-12(11)16/h4-7,10H,8H2,1-3H3
InChIKeyOXMPLKDDPDWLBE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.99
Rot. Bonds

About tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate

tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate (PubChem CID 164883537) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
PubChem CID164883537
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Nametert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ncccc2C2=CC1C2
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-10-7-9(8-10)11-5-4-6-15-12(11)16/h4-7,10H,8H2,1-3H3
InChIKeyOXMPLKDDPDWLBE-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate with MolForge

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Related Compounds

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CID 171970341
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CID 122364870
tert-butyl (5R)-5-hydroxy-5H-thieno[3,4-f][1,7]naphthyridine-4-carboxylate
CID 819133
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
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tert-butyl 4-amino-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 130140958
tert-butyl 3-benzyl-2-hydroxy-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
CID 135061189
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
tert-butyl 4-[3-(2,3,4,5-tetrahydropyridin-6-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 102541732
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
tert-butyl 3-(3-fluoro-2-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67464903
tert-butyl 5-(3-fluoro-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate?
The IUPAC name of tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate (CID 164883537) is tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate.
What is the SMILES notation for tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate?
The canonical SMILES for tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate is CC(C)(C)OC(=O)N1c2ncccc2C2=CC1C2.
What is the InChIKey of tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate?
The InChIKey is OXMPLKDDPDWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)18-13(17)16-10-7-9(8-10)11-5-4-6-15-12(11)16/h4-7,10H,8H2,1-3H3.
What are the key properties of tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate?
tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,8-diazatricyclo[7.1.1.02,7]undeca-1(10),2(7),3,5-tetraene-8-carboxylate is sourced from PubChem (CID 164883537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).