7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene

C7H7N — CID 174283621

IUPAC7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene
SMILESCC1=C2C=CN=CC12
InChIInChI=1S/C7H7N/c1-5-6-2-3-8-4-7(5)6/h2-4,7H,1H3
InChIKeyXWJQGEHKGDNRNN-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.53
Rot. Bonds

About 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene

7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene (PubChem CID 174283621) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene.

Molecular Properties

Compound Name7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene
PubChem CID174283621
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene
SMILESCC1=C2C=CN=CC12
InChIInChI=1S/C7H7N/c1-5-6-2-3-8-4-7(5)6/h2-4,7H,1H3
InChIKeyXWJQGEHKGDNRNN-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene?
The IUPAC name of 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene (CID 174283621) is 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene.
What is the SMILES notation for 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene?
The canonical SMILES for 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene is CC1=C2C=CN=CC12.
What is the InChIKey of 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene?
The InChIKey is XWJQGEHKGDNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-5-6-2-3-8-4-7(5)6/h2-4,7H,1H3.
What are the key properties of 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene?
7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene has a molecular weight of 105.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-azabicyclo[4.1.0]hepta-2,4,6-triene is sourced from PubChem (CID 174283621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).