(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine

C9H8N2 — CID 137224559

IUPAC(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine
SMILESC1=C\C=c2\[nH]cc\c2=N\C=C/1
InChIInChI=1S/C9H8N2/c1-2-4-8-9(5-7-11-8)10-6-3-1/h1-7,11H/b2-1-,3-1-,4-2-,6-3-,8-4+,10-6-,10-9-
InChIKeyFMPDTCYKQMFRFE-DKZQCTDFSA-N
MW144.18 g/mol
LogP0.50
Rot. Bonds

About (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine

(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine (PubChem CID 137224559) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine.

Molecular Properties

Compound Name(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine
PubChem CID137224559
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine
SMILESC1=C\C=c2\[nH]cc\c2=N\C=C/1
InChIInChI=1S/C9H8N2/c1-2-4-8-9(5-7-11-8)10-6-3-1/h1-7,11H/b2-1-,3-1-,4-2-,6-3-,8-4+,10-6-,10-9-
InChIKeyFMPDTCYKQMFRFE-DKZQCTDFSA-N
XLogP0.50
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine?
The IUPAC name of (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine (CID 137224559) is (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine.
What is the SMILES notation for (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine?
The canonical SMILES for (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine is C1=C\C=c2\[nH]cc\c2=N\C=C/1.
What is the InChIKey of (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine?
The InChIKey is FMPDTCYKQMFRFE-DKZQCTDFSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8-9(5-7-11-8)10-6-3-1/h1-7,11H/b2-1-,3-1-,4-2-,6-3-,8-4+,10-6-,10-9-.
What are the key properties of (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine?
(5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine has a molecular weight of 144.18 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-1H-pyrrolo[3,2-b]azocine is sourced from PubChem (CID 137224559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).