(3Z)-2,5-dihydroazocine

C7H9N — CID 143413187

IUPAC(3Z)-2,5-dihydroazocine
SMILESC1=CC/C=C\C/N=C\1
InChIInChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2-6H,1,7H2/b4-2?,5-3-,8-6-
InChIKeyVMFMNRQKMPDPMU-XZQQDETASA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds

About (3Z)-2,5-dihydroazocine

(3Z)-2,5-dihydroazocine (PubChem CID 143413187) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is (3Z)-2,5-dihydroazocine.

Molecular Properties

Compound Name(3Z)-2,5-dihydroazocine
PubChem CID143413187
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name(3Z)-2,5-dihydroazocine
SMILESC1=CC/C=C\C/N=C\1
InChIInChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2-6H,1,7H2/b4-2?,5-3-,8-6-
InChIKeyVMFMNRQKMPDPMU-XZQQDETASA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 (3Z)-2,5-dihydroazocine?
The IUPAC name of (3Z)-2,5-dihydroazocine (CID 143413187) is (3Z)-2,5-dihydroazocine.
What is the SMILES notation for (3Z)-2,5-dihydroazocine?
The canonical SMILES for (3Z)-2,5-dihydroazocine is C1=CC/C=C\C/N=C\1.
What is the InChIKey of (3Z)-2,5-dihydroazocine?
The InChIKey is VMFMNRQKMPDPMU-XZQQDETASA-N. The full InChI is InChI=1S/C7H9N/c1-2-4-6-8-7-5-3-1/h2-6H,1,7H2/b4-2?,5-3-,8-6-.
What are the key properties of (3Z)-2,5-dihydroazocine?
(3Z)-2,5-dihydroazocine has a molecular weight of 107.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,5-dihydroazocine is sourced from PubChem (CID 143413187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).