2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine

C6H8N2 — CID 139493391

IUPAC2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine
SMILESNC12CC1C=CC=N2
InChIInChI=1S/C6H8N2/c7-6-4-5(6)2-1-3-8-6/h1-3,5H,4,7H2
InChIKeyXGBKNMMPIPYJFK-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.30
Rot. Bonds

About 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine

2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine (PubChem CID 139493391) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine
PubChem CID139493391
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine
SMILESNC12CC1C=CC=N2
InChIInChI=1S/C6H8N2/c7-6-4-5(6)2-1-3-8-6/h1-3,5H,4,7H2
InChIKeyXGBKNMMPIPYJFK-UHFFFAOYSA-N
XLogP0.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine?
The IUPAC name of 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine (CID 139493391) is 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine.
What is the SMILES notation for 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine?
The canonical SMILES for 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine is NC12CC1C=CC=N2.
What is the InChIKey of 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine?
The InChIKey is XGBKNMMPIPYJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-4-5(6)2-1-3-8-6/h1-3,5H,4,7H2.
What are the key properties of 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine?
2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine has a molecular weight of 108.14 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.1.0]hepta-2,4-dien-1-amine is sourced from PubChem (CID 139493391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).