7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene

C7H9N — CID 89263292

IUPAC7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
SMILESCC1CC2=C1N=CC2
InChIInChI=1S/C7H9N/c1-5-4-6-2-3-8-7(5)6/h3,5H,2,4H2,1H3
InChIKeyKQOVDNWPJWCGQM-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.75
Rot. Bonds

About 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene

7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene (PubChem CID 89263292) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene.

Molecular Properties

Compound Name7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
PubChem CID89263292
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene
SMILESCC1CC2=C1N=CC2
InChIInChI=1S/C7H9N/c1-5-4-6-2-3-8-7(5)6/h3,5H,2,4H2,1H3
InChIKeyKQOVDNWPJWCGQM-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The IUPAC name of 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene (CID 89263292) is 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene.
What is the SMILES notation for 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The canonical SMILES for 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene is CC1CC2=C1N=CC2.
What is the InChIKey of 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
The InChIKey is KQOVDNWPJWCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-5-4-6-2-3-8-7(5)6/h3,5H,2,4H2,1H3.
What are the key properties of 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene?
7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene has a molecular weight of 107.16 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-azabicyclo[3.2.0]hepta-1(5),2-diene is sourced from PubChem (CID 89263292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).