8-Azabicyclo[4.3.0]non-2-ene

C8H13N — CID 12386767

IUPAC2,3,3a,4,5,7a-hexahydro-1H-isoindole
SMILESC1CC2CNCC2C=C1
InChIInChI=1S/C8H13N/c1-2-4-8-6-9-5-7(8)3-1/h1,3,7-9H,2,4-6H2
InChIKeyUOTAVRHXGRHIAL-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.10
Rot. Bonds

About 8-Azabicyclo[4.3.0]non-2-ene

8-Azabicyclo[4.3.0]non-2-ene (PubChem CID 12386767) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,3,3a,4,5,7a-hexahydro-1H-isoindole.

Molecular Properties

Compound Name8-Azabicyclo[4.3.0]non-2-ene
PubChem CID12386767
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,3,3a,4,5,7a-hexahydro-1H-isoindole
SMILESC1CC2CNCC2C=C1
InChIInChI=1S/C8H13N/c1-2-4-8-6-9-5-7(8)3-1/h1,3,7-9H,2,4-6H2
InChIKeyUOTAVRHXGRHIAL-UHFFFAOYSA-N
XLogP1.10
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity129

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3,3a,4,7,7a-Hexahydro-1H-isoindole
CID 20521863
4a,8a-(Methaniminomethano)naphthalene, 1,4,5,8-tetrahydro-, hydrochloride
CID 205278
12-Azatricyclo[4.4.3.01,6]trideca-3,8-diene
CID 205279
Hexahydro-cyclopenta(c)pyridine
CID 69895823
2,3,3a,4,7,7a-hexahydro-1H-isoindole hydrochloride
CID 84818734
2,3,3a,7a-tetrahydro-1H-indole
CID 15821030
Dihydroisoindoline
CID 18315888
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
2,3,3a,7a-tetrahydro-1H-isoindole
CID 19381776
2,3,3a,4,5,6-hexahydro-1H-indole
CID 20231123
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754

Frequently Asked Questions

What is the IUPAC name of 8-Azabicyclo[4.3.0]non-2-ene?
The IUPAC name of 8-Azabicyclo[4.3.0]non-2-ene (CID 12386767) is 2,3,3a,4,5,7a-hexahydro-1H-isoindole.
What is the SMILES notation for 8-Azabicyclo[4.3.0]non-2-ene?
The canonical SMILES for 8-Azabicyclo[4.3.0]non-2-ene is C1CC2CNCC2C=C1.
What is the InChIKey of 8-Azabicyclo[4.3.0]non-2-ene?
The InChIKey is UOTAVRHXGRHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-8-6-9-5-7(8)3-1/h1,3,7-9H,2,4-6H2.
What are the key properties of 8-Azabicyclo[4.3.0]non-2-ene?
8-Azabicyclo[4.3.0]non-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-Azabicyclo[4.3.0]non-2-ene is sourced from PubChem (CID 12386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).