(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine

C10H9N — CID 22149034

IUPAC(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine
SMILESC1=C\C=C/n2cccc2\C=C/1
InChIInChI=1S/C10H9N/c1-2-4-8-11-9-5-7-10(11)6-3-1/h1-9H/b2-1-,6-3-,8-4-
InChIKeyGNJJANNAHOJZGD-DRMPINAISA-N
MW143.19 g/mol
LogP2.54
Rot. Bonds

About (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine

(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine (PubChem CID 22149034) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine.

Molecular Properties

Compound Name(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine
PubChem CID22149034
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine
SMILESC1=C\C=C/n2cccc2\C=C/1
InChIInChI=1S/C10H9N/c1-2-4-8-11-9-5-7-10(11)6-3-1/h1-9H/b2-1-,6-3-,8-4-
InChIKeyGNJJANNAHOJZGD-DRMPINAISA-N
XLogP2.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine?
The IUPAC name of (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine (CID 22149034) is (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine.
What is the SMILES notation for (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine?
The canonical SMILES for (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine is C1=C\C=C/n2cccc2\C=C/1.
What is the InChIKey of (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine?
The InChIKey is GNJJANNAHOJZGD-DRMPINAISA-N. The full InChI is InChI=1S/C10H9N/c1-2-4-8-11-9-5-7-10(11)6-3-1/h1-9H/b2-1-,6-3-,8-4-.
What are the key properties of (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine?
(5Z,7Z,9Z)-pyrrolo[1,2-a]azocine has a molecular weight of 143.19 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9Z)-pyrrolo[1,2-a]azocine is sourced from PubChem (CID 22149034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).