(8Z)-4,5,6,7-tetrahydro-3H-azonine

C8H13N — CID 90844675

IUPAC(8Z)-4,5,6,7-tetrahydro-3H-azonine
SMILESC1=C\N=C/CCCCC/1
InChIInChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-,9-8-
InChIKeyCPONVKDSYNMIHN-PJHABFGRSA-N
MW123.20 g/mol
LogP2.54
Rot. Bonds

About (8Z)-4,5,6,7-tetrahydro-3H-azonine

(8Z)-4,5,6,7-tetrahydro-3H-azonine (PubChem CID 90844675) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (8Z)-4,5,6,7-tetrahydro-3H-azonine.

Molecular Properties

Compound Name(8Z)-4,5,6,7-tetrahydro-3H-azonine
PubChem CID90844675
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(8Z)-4,5,6,7-tetrahydro-3H-azonine
SMILESC1=C\N=C/CCCCC/1
InChIInChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-,9-8-
InChIKeyCPONVKDSYNMIHN-PJHABFGRSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8Z)-4,5,6,7-tetrahydro-3H-azonine?
The IUPAC name of (8Z)-4,5,6,7-tetrahydro-3H-azonine (CID 90844675) is (8Z)-4,5,6,7-tetrahydro-3H-azonine.
What is the SMILES notation for (8Z)-4,5,6,7-tetrahydro-3H-azonine?
The canonical SMILES for (8Z)-4,5,6,7-tetrahydro-3H-azonine is C1=C\N=C/CCCCC/1.
What is the InChIKey of (8Z)-4,5,6,7-tetrahydro-3H-azonine?
The InChIKey is CPONVKDSYNMIHN-PJHABFGRSA-N. The full InChI is InChI=1S/C8H13N/c1-2-4-6-8-9-7-5-3-1/h5,7-8H,1-4,6H2/b7-5-,9-8-.
What are the key properties of (8Z)-4,5,6,7-tetrahydro-3H-azonine?
(8Z)-4,5,6,7-tetrahydro-3H-azonine has a molecular weight of 123.20 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 (8Z)-4,5,6,7-tetrahydro-3H-azonine is sourced from PubChem (CID 90844675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).