(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine

C9H12N2 — CID 90912337

IUPAC(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine
SMILESC1=NC2CNC/C=C\C=C2C1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-3,6,9-10H,4-5,7H2/b2-1-,8-3?
InChIKeyGBBJITGNHCNMEG-SKFOSRQQSA-N
MW148.21 g/mol
LogP0.92
Rot. Bonds

About (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine

(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine (PubChem CID 90912337) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine.

Molecular Properties

Compound Name(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine
PubChem CID90912337
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine
SMILESC1=NC2CNC/C=C\C=C2C1
InChIInChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-3,6,9-10H,4-5,7H2/b2-1-,8-3?
InChIKeyGBBJITGNHCNMEG-SKFOSRQQSA-N
XLogP0.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine?
The IUPAC name of (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine (CID 90912337) is (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine.
What is the SMILES notation for (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine?
The canonical SMILES for (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine is C1=NC2CNC/C=C\C=C2C1.
What is the InChIKey of (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine?
The InChIKey is GBBJITGNHCNMEG-SKFOSRQQSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-5-10-7-9-8(3-1)4-6-11-9/h1-3,6,9-10H,4-5,7H2/b2-1-,8-3?.
What are the key properties of (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine?
(5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine has a molecular weight of 148.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7,8,9,9a-tetrahydro-3H-pyrrolo[2,3-c]azocine is sourced from PubChem (CID 90912337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).