tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate

C17H24N2O2 — CID 178110183

IUPACtert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate
SMILESCc1nc2c3c(c1C)CN(C(=O)OC(C)(C)C)[C@@H]3CCC2
InChIInChI=1S/C17H24N2O2/c1-10-11(2)18-13-7-6-8-14-15(13)12(10)9-19(14)16(20)21-17(3,4)5/h14H,6-9H2,1-5H3/t14-/m1/s1
InChIKeyBFWUTDJWFWVCLE-CQSZACIVSA-N
MW288.39 g/mol
LogP3.83
Rot. Bonds

About tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate

tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate (PubChem CID 178110183) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate
PubChem CID178110183
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate
SMILESCc1nc2c3c(c1C)CN(C(=O)OC(C)(C)C)[C@@H]3CCC2
InChIInChI=1S/C17H24N2O2/c1-10-11(2)18-13-7-6-8-14-15(13)12(10)9-19(14)16(20)21-17(3,4)5/h14H,6-9H2,1-5H3/t14-/m1/s1
InChIKeyBFWUTDJWFWVCLE-CQSZACIVSA-N
XLogP3.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate with MolForge

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Related Compounds

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tert-butyl (2S)-2-(1-amino-4,5-diiodoimidazol-2-yl)pyrrolidine-1-carboxylate
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tert-butyl 2-(4,5-diiodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 66982217
5-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 10851449
tert-butyl 4-formyl-6,7-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
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tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
ditert-butyl (3aR,7aR)-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole-1,3-dicarboxylate
CID 15357285
tert-butyl 5-bromo-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazole-1-carboxylate
CID 58310114
tert-butyl 3,6-dimethyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;ethane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate?
The IUPAC name of tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate (CID 178110183) is tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate.
What is the SMILES notation for tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate?
The canonical SMILES for tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate is Cc1nc2c3c(c1C)CN(C(=O)OC(C)(C)C)[C@@H]3CCC2.
What is the InChIKey of tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate?
The InChIKey is BFWUTDJWFWVCLE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10-11(2)18-13-7-6-8-14-15(13)12(10)9-19(14)16(20)21-17(3,4)5/h14H,6-9H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate?
tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R)-5,6-dimethyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-2-carboxylate is sourced from PubChem (CID 178110183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).