(7Z)-3,4,5,6-tetrahydroazocine

C7H11N — CID 91267839

IUPAC(7Z)-3,4,5,6-tetrahydroazocine
SMILESC1=C\N=C/CCCC/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-,8-7-
InChIKeyPMIWEZYRGFULEQ-MOIRPGTBSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds

About (7Z)-3,4,5,6-tetrahydroazocine

(7Z)-3,4,5,6-tetrahydroazocine (PubChem CID 91267839) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (7Z)-3,4,5,6-tetrahydroazocine.

Molecular Properties

Compound Name(7Z)-3,4,5,6-tetrahydroazocine
PubChem CID91267839
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(7Z)-3,4,5,6-tetrahydroazocine
SMILESC1=C\N=C/CCCC/1
InChIInChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-,8-7-
InChIKeyPMIWEZYRGFULEQ-MOIRPGTBSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7Z)-3,4,5,6-tetrahydroazocine?
The IUPAC name of (7Z)-3,4,5,6-tetrahydroazocine (CID 91267839) is (7Z)-3,4,5,6-tetrahydroazocine.
What is the SMILES notation for (7Z)-3,4,5,6-tetrahydroazocine?
The canonical SMILES for (7Z)-3,4,5,6-tetrahydroazocine is C1=C\N=C/CCCC/1.
What is the InChIKey of (7Z)-3,4,5,6-tetrahydroazocine?
The InChIKey is PMIWEZYRGFULEQ-MOIRPGTBSA-N. The full InChI is InChI=1S/C7H11N/c1-2-4-6-8-7-5-3-1/h4,6-7H,1-3,5H2/b6-4-,8-7-.
What are the key properties of (7Z)-3,4,5,6-tetrahydroazocine?
(7Z)-3,4,5,6-tetrahydroazocine has a molecular weight of 109.17 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-3,4,5,6-tetrahydroazocine is sourced from PubChem (CID 91267839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).