2-diazo-1,1,3,3-tetramethylindene

C13H16N2 — CID 12732507

IUPAC2-diazo-1,1,3,3-tetramethylindene
SMILESCC1(C)C(=[N+]=[N-])C(C)(C)c2ccccc21
InChIInChI=1S/C13H16N2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)15-14/h5-8H,1-4H3
InChIKeyDFDDJQCOYHJOMA-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.93
Rot. Bonds

About 2-diazo-1,1,3,3-tetramethylindene

2-diazo-1,1,3,3-tetramethylindene (PubChem CID 12732507) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-diazo-1,1,3,3-tetramethylindene.

Molecular Properties

Compound Name2-diazo-1,1,3,3-tetramethylindene
PubChem CID12732507
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-diazo-1,1,3,3-tetramethylindene
SMILESCC1(C)C(=[N+]=[N-])C(C)(C)c2ccccc21
InChIInChI=1S/C13H16N2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)15-14/h5-8H,1-4H3
InChIKeyDFDDJQCOYHJOMA-UHFFFAOYSA-N
XLogP2.93
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-1,1,3,3-tetramethylindene?
The IUPAC name of 2-diazo-1,1,3,3-tetramethylindene (CID 12732507) is 2-diazo-1,1,3,3-tetramethylindene.
What is the SMILES notation for 2-diazo-1,1,3,3-tetramethylindene?
The canonical SMILES for 2-diazo-1,1,3,3-tetramethylindene is CC1(C)C(=[N+]=[N-])C(C)(C)c2ccccc21.
What is the InChIKey of 2-diazo-1,1,3,3-tetramethylindene?
The InChIKey is DFDDJQCOYHJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-12(2)9-7-5-6-8-10(9)13(3,4)11(12)15-14/h5-8H,1-4H3.
What are the key properties of 2-diazo-1,1,3,3-tetramethylindene?
2-diazo-1,1,3,3-tetramethylindene has a molecular weight of 200.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-1,1,3,3-tetramethylindene is sourced from PubChem (CID 12732507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).