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

C7H9N — CID 143700498

IUPAC6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CN=CC1C2
InChIInChI=1S/C7H9N/c1-7-2-3-8-5-6(7)4-7/h2-3,5-6H,4H2,1H3
InChIKeyDAHXKLNCDJHPNV-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.61
Rot. Bonds

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

6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143700498) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
PubChem CID143700498
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene
SMILESCC12C=CN=CC1C2
InChIInChI=1S/C7H9N/c1-7-2-3-8-5-6(7)4-7/h2-3,5-6H,4H2,1H3
InChIKeyDAHXKLNCDJHPNV-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene (CID 143700498) is 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene is CC12C=CN=CC1C2.
What is the InChIKey of 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is DAHXKLNCDJHPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-7-2-3-8-5-6(7)4-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene?
6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 107.16 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-azabicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143700498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).