(4E,8E)-1,2,3,6,7,10-hexahydroazecine

C9H15N — CID 142299447

IUPAC(4E,8E)-1,2,3,6,7,10-hexahydroazecine
SMILESC1=C/CCNC/C=C/CC/1
InChIInChI=1S/C9H15N/c1-2-4-6-8-10-9-7-5-3-1/h2,4-5,7,10H,1,3,6,8-9H2/b4-2+,7-5+
InChIKeyXUFSDZRMSDGJQA-WSTKVMPZSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds

About (4E,8E)-1,2,3,6,7,10-hexahydroazecine

(4E,8E)-1,2,3,6,7,10-hexahydroazecine (PubChem CID 142299447) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (4E,8E)-1,2,3,6,7,10-hexahydroazecine.

Molecular Properties

Compound Name(4E,8E)-1,2,3,6,7,10-hexahydroazecine
PubChem CID142299447
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(4E,8E)-1,2,3,6,7,10-hexahydroazecine
SMILESC1=C/CCNC/C=C/CC/1
InChIInChI=1S/C9H15N/c1-2-4-6-8-10-9-7-5-3-1/h2,4-5,7,10H,1,3,6,8-9H2/b4-2+,7-5+
InChIKeyXUFSDZRMSDGJQA-WSTKVMPZSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-1,2,3,6,7,10-hexahydroazecine?
The IUPAC name of (4E,8E)-1,2,3,6,7,10-hexahydroazecine (CID 142299447) is (4E,8E)-1,2,3,6,7,10-hexahydroazecine.
What is the SMILES notation for (4E,8E)-1,2,3,6,7,10-hexahydroazecine?
The canonical SMILES for (4E,8E)-1,2,3,6,7,10-hexahydroazecine is C1=C/CCNC/C=C/CC/1.
What is the InChIKey of (4E,8E)-1,2,3,6,7,10-hexahydroazecine?
The InChIKey is XUFSDZRMSDGJQA-WSTKVMPZSA-N. The full InChI is InChI=1S/C9H15N/c1-2-4-6-8-10-9-7-5-3-1/h2,4-5,7,10H,1,3,6,8-9H2/b4-2+,7-5+.
What are the key properties of (4E,8E)-1,2,3,6,7,10-hexahydroazecine?
(4E,8E)-1,2,3,6,7,10-hexahydroazecine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-1,2,3,6,7,10-hexahydroazecine is sourced from PubChem (CID 142299447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).