5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene

C8H7IN2 — CID 148802210

IUPAC5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
SMILESCC1=c2ccccc2=NI=N1
InChIInChI=1S/C8H7IN2/c1-6-7-4-2-3-5-8(7)11-9-10-6/h2-5H,1H3
InChIKeyOOGDJGGBROYERR-UHFFFAOYSA-N
MW258.06 g/mol
LogP1.52
Rot. Bonds

About 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene

5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene (PubChem CID 148802210) has the molecular formula C8H7IN2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
PubChem CID148802210
Molecular FormulaC8H7IN2
Molecular Weight258.06 g/mol
Exact Mass257.97
IUPAC Name5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene
SMILESCC1=c2ccccc2=NI=N1
InChIInChI=1S/C8H7IN2/c1-6-7-4-2-3-5-8(7)11-9-10-6/h2-5H,1H3
InChIKeyOOGDJGGBROYERR-UHFFFAOYSA-N
XLogP1.52
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene with MolForge

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Related Compounds

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CID 11037808
2-methyl-2H-indole
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(3Z,13Z)-2,5,12,15-tetrazatricyclo[14.4.0.06,11]icosa-1,3,5,7,9,11,13,15,17,19-decaene
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acetylene;biphenylene
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1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene?
The IUPAC name of 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene (CID 148802210) is 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene.
What is the SMILES notation for 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene?
The canonical SMILES for 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene is CC1=c2ccccc2=NI=N1.
What is the InChIKey of 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene?
The InChIKey is OOGDJGGBROYERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2/c1-6-7-4-2-3-5-8(7)11-9-10-6/h2-5H,1H3.
What are the key properties of 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene?
5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene has a molecular weight of 258.06 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3λ3-ioda-2,4-diazabicyclo[4.4.0]deca-1,3,5,7,9-pentaene is sourced from PubChem (CID 148802210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).