2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane

C14H22N2O+2 — CID 7045891

IUPAC2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccco1)C2
InChIInChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3/p+2
InChIKeyGJHIOQYKFOFHGN-UHFFFAOYSA-P
MW234.34 g/mol
LogP-0.51
Rot. Bonds1

About 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane

2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane (PubChem CID 7045891) has the molecular formula C14H22N2O+2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
PubChem CID7045891
Molecular FormulaC14H22N2O+2
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccco1)C2
InChIInChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3/p+2
InChIKeyGJHIOQYKFOFHGN-UHFFFAOYSA-P
XLogP-0.51
TPSA22.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
CID 907246
2-(5,5-dimethyloxolan-2-yl)furan
CID 21036269
3-(furan-2-yl)-6,6-dimethyl-1,2,4-trioxane
CID 101108105
3-(furan-2-yl)-N,4,4-trimethylcyclohexan-1-amine
CID 165498088
(3R)-3-(furan-2-yl)-5,5-dimethyloxolane-2-carbaldehyde
CID 59963922
3-(furan-2-yl)-4-methylpiperidine
CID 66271678
2-(thian-4-yl)furan
CID 68570880
(2S,6S)-2-(furan-2-yl)-6-methyloxane
CID 25138454
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
(7R)-7-(furan-2-yl)-2,3,4,5,6,8-hexamethyl-8-aza-1-phosphatricyclo[3.3.0.02,6]oct-3-ene
CID 122222800
4-(furan-2-yl)-4-methylpiperidine
CID 83815867
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane (CID 7045891) is 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane is CC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccco1)C2.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
The InChIKey is GJHIOQYKFOFHGN-UHFFFAOYSA-P. The full InChI is InChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3/p+2.
What are the key properties of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane?
2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane has a molecular weight of 234.34 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 7045891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).