4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene

C8H11N — CID 91520463

IUPAC4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2C(C)C2C=N1
InChIInChI=1S/C8H11N/c1-5-3-7-6(2)8(7)4-9-5/h3-4,6-8H,1-2H3
InChIKeyUCARZAXNPAOHGO-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.86
Rot. Bonds

About 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene

4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 91520463) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID91520463
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2C(C)C2C=N1
InChIInChI=1S/C8H11N/c1-5-3-7-6(2)8(7)4-9-5/h3-4,6-8H,1-2H3
InChIKeyUCARZAXNPAOHGO-UHFFFAOYSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-Ethyl-6-methyl-3,4-dihydropyridine
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3,5-diethyl-3H-pyrrole
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(3S)-3,4,6-trimethyl-3,4-dihydropyridine
CID 68330621
3-Ethenyl-6-ethyl-3,4-dihydropyridine
CID 68343847
(3S)-3,6-dimethyl-3,4-dihydropyridine
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3,6-Dimethyl-3,4-dihydropyridine
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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 91520463) is 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene is CC1=CC2C(C)C2C=N1.
What is the InChIKey of 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is UCARZAXNPAOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-5-3-7-6(2)8(7)4-9-5/h3-4,6-8H,1-2H3.
What are the key properties of 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 121.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 91520463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).