2-azabicyclo[2.2.1]hepta-1,5-diene

C6H7N — CID 67863616

IUPAC2-azabicyclo[2.2.1]hepta-1,5-diene
SMILESC1=CC2CN=C1C2
InChIInChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2
InChIKeyDSQDPUOSDLXLEW-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.02
Rot. Bonds

About 2-azabicyclo[2.2.1]hepta-1,5-diene

2-azabicyclo[2.2.1]hepta-1,5-diene (PubChem CID 67863616) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]hepta-1,5-diene.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]hepta-1,5-diene
PubChem CID67863616
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-azabicyclo[2.2.1]hepta-1,5-diene
SMILESC1=CC2CN=C1C2
InChIInChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2
InChIKeyDSQDPUOSDLXLEW-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210
2-Azabicyclo[2.2.1]hepta-2,5-diene
CID 15178579
3,3a,4,5-tetrahydro-2H-indole
CID 53636670
3,3a,4,7-tetrahydro-2H-indole
CID 54297230
6-Methyl-3-propyl-2,3-dihydropyridine
CID 90941933
4-methyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyrrole
CID 91437753
4-methyl-5-prop-1-enyl-3,4-dihydro-2H-pyrrole
CID 123554893
(1S,4R)-2-azabicyclo[2.2.1]hepta-2,5-diene
CID 11126181

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.1]hepta-1,5-diene?
The IUPAC name of 2-azabicyclo[2.2.1]hepta-1,5-diene (CID 67863616) is 2-azabicyclo[2.2.1]hepta-1,5-diene.
What is the SMILES notation for 2-azabicyclo[2.2.1]hepta-1,5-diene?
The canonical SMILES for 2-azabicyclo[2.2.1]hepta-1,5-diene is C1=CC2CN=C1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]hepta-1,5-diene?
The InChIKey is DSQDPUOSDLXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-3-5(1)4-7-6/h1-2,5H,3-4H2.
What are the key properties of 2-azabicyclo[2.2.1]hepta-1,5-diene?
2-azabicyclo[2.2.1]hepta-1,5-diene has a molecular weight of 93.13 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]hepta-1,5-diene is sourced from PubChem (CID 67863616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).