9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene

C10H11N — CID 88870175

IUPAC9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCCC12CN1c1ccccc12
InChIInChI=1S/C10H11N/c1-2-10-7-11(10)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyHIMLKQORQMBRQD-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.13
Rot. Bonds1

About 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene

9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 88870175) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Name9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID88870175
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCCC12CN1c1ccccc12
InChIInChI=1S/C10H11N/c1-2-10-7-11(10)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3
InChIKeyHIMLKQORQMBRQD-UHFFFAOYSA-N
XLogP2.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 88870175) is 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene is CCC12CN1c1ccccc12.
What is the InChIKey of 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is HIMLKQORQMBRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-10-7-11(10)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3.
What are the key properties of 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene?
9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 145.20 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-7-azatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 88870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).