1H-cycloocta[b]pyrrole

C10H9N — CID 54226927

IUPAC1H-cycloocta[b]pyrrole
SMILESC1=CC=c2cc[nH]c2=CC=C1
InChIInChI=1S/C10H9N/c1-2-4-6-10-9(5-3-1)7-8-11-10/h1-8,11H
InChIKeyQGMKSFJESLHFDH-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.70
Rot. Bonds

About 1H-cycloocta[b]pyrrole

1H-cycloocta[b]pyrrole (PubChem CID 54226927) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 1H-cycloocta[b]pyrrole.

Molecular Properties

Compound Name1H-cycloocta[b]pyrrole
PubChem CID54226927
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name1H-cycloocta[b]pyrrole
SMILESC1=CC=c2cc[nH]c2=CC=C1
InChIInChI=1S/C10H9N/c1-2-4-6-10-9(5-3-1)7-8-11-10/h1-8,11H
InChIKeyQGMKSFJESLHFDH-UHFFFAOYSA-N
XLogP0.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1H-cycloocta[b]pyrrole?
The IUPAC name of 1H-cycloocta[b]pyrrole (CID 54226927) is 1H-cycloocta[b]pyrrole.
What is the SMILES notation for 1H-cycloocta[b]pyrrole?
The canonical SMILES for 1H-cycloocta[b]pyrrole is C1=CC=c2cc[nH]c2=CC=C1.
What is the InChIKey of 1H-cycloocta[b]pyrrole?
The InChIKey is QGMKSFJESLHFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-6-10-9(5-3-1)7-8-11-10/h1-8,11H.
What are the key properties of 1H-cycloocta[b]pyrrole?
1H-cycloocta[b]pyrrole has a molecular weight of 143.19 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cycloocta[b]pyrrole is sourced from PubChem (CID 54226927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).