(4Z,7Z)-1,2,3,6-tetrahydroazocine

C7H11N — CID 118562989

IUPAC(4Z,7Z)-1,2,3,6-tetrahydroazocine
SMILESC1=C\CCN/C=C\C/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h1-2,5,7-8H,3-4,6H2/b2-1-,7-5-
InChIKeyCRRAJANLJKBYPW-PQZOIKATSA-N
MW109.17 g/mol
LogP1.44
Rot. Bonds

About (4Z,7Z)-1,2,3,6-tetrahydroazocine

(4Z,7Z)-1,2,3,6-tetrahydroazocine (PubChem CID 118562989) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (4Z,7Z)-1,2,3,6-tetrahydroazocine.

Molecular Properties

Compound Name(4Z,7Z)-1,2,3,6-tetrahydroazocine
PubChem CID118562989
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(4Z,7Z)-1,2,3,6-tetrahydroazocine
SMILESC1=C\CCN/C=C\C/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h1-2,5,7-8H,3-4,6H2/b2-1-,7-5-
InChIKeyCRRAJANLJKBYPW-PQZOIKATSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-1,2,3,6-tetrahydroazocine?
The IUPAC name of (4Z,7Z)-1,2,3,6-tetrahydroazocine (CID 118562989) is (4Z,7Z)-1,2,3,6-tetrahydroazocine.
What is the SMILES notation for (4Z,7Z)-1,2,3,6-tetrahydroazocine?
The canonical SMILES for (4Z,7Z)-1,2,3,6-tetrahydroazocine is C1=C\CCN/C=C\C/1.
What is the InChIKey of (4Z,7Z)-1,2,3,6-tetrahydroazocine?
The InChIKey is CRRAJANLJKBYPW-PQZOIKATSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h1-2,5,7-8H,3-4,6H2/b2-1-,7-5-.
What are the key properties of (4Z,7Z)-1,2,3,6-tetrahydroazocine?
(4Z,7Z)-1,2,3,6-tetrahydroazocine has a molecular weight of 109.17 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-1,2,3,6-tetrahydroazocine is sourced from PubChem (CID 118562989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).