6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole

C10H11N — CID 138968947

IUPAC6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
SMILESC1#CCCc2c[nH]cc2CC1
InChIInChI=1S/C10H11N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h7-8,11H,3-6H2
InChIKeyXXSLKWGPZMQHDW-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.90
Rot. Bonds

About 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole

6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole (PubChem CID 138968947) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole.

Molecular Properties

Compound Name6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
PubChem CID138968947
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole
SMILESC1#CCCc2c[nH]cc2CC1
InChIInChI=1S/C10H11N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h7-8,11H,3-6H2
InChIKeyXXSLKWGPZMQHDW-UHFFFAOYSA-N
XLogP1.90
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The IUPAC name of 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole (CID 138968947) is 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole.
What is the SMILES notation for 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The canonical SMILES for 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole is C1#CCCc2c[nH]cc2CC1.
What is the InChIKey of 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
The InChIKey is XXSLKWGPZMQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-4-6-10-8-11-7-9(10)5-3-1/h7-8,11H,3-6H2.
What are the key properties of 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole?
6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole has a molecular weight of 145.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-didehydro-4,5,8,9-tetrahydro-2H-cycloocta[c]pyrrole is sourced from PubChem (CID 138968947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).