8-cyclohex-2-en-1-ylidene-3H-azocine

C13H15N — CID 57325378

IUPAC8-cyclohex-2-en-1-ylidene-3H-azocine
SMILESC1=CC/C=N\C(=C2C=CCCC2)C=C1
InChIInChI=1S/C13H15N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,4,6,8,10-11H,3,5,7,9H2/b2-1?,10-6?,13-12?,14-11-
InChIKeyFPDWQDZGNRNBTA-QAYJBCPXSA-N
MW185.27 g/mol
LogP3.57
Rot. Bonds

About 8-cyclohex-2-en-1-ylidene-3H-azocine

8-cyclohex-2-en-1-ylidene-3H-azocine (PubChem CID 57325378) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 8-cyclohex-2-en-1-ylidene-3H-azocine.

Molecular Properties

Compound Name8-cyclohex-2-en-1-ylidene-3H-azocine
PubChem CID57325378
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name8-cyclohex-2-en-1-ylidene-3H-azocine
SMILESC1=CC/C=N\C(=C2C=CCCC2)C=C1
InChIInChI=1S/C13H15N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,4,6,8,10-11H,3,5,7,9H2/b2-1?,10-6?,13-12?,14-11-
InChIKeyFPDWQDZGNRNBTA-QAYJBCPXSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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7-propyl-6H-indole
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2-Azabicyclo[5.3.1]undeca-2,5,7,9-tetraene
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Frequently Asked Questions

What is the IUPAC name of 8-cyclohex-2-en-1-ylidene-3H-azocine?
The IUPAC name of 8-cyclohex-2-en-1-ylidene-3H-azocine (CID 57325378) is 8-cyclohex-2-en-1-ylidene-3H-azocine.
What is the SMILES notation for 8-cyclohex-2-en-1-ylidene-3H-azocine?
The canonical SMILES for 8-cyclohex-2-en-1-ylidene-3H-azocine is C1=CC/C=N\C(=C2C=CCCC2)C=C1.
What is the InChIKey of 8-cyclohex-2-en-1-ylidene-3H-azocine?
The InChIKey is FPDWQDZGNRNBTA-QAYJBCPXSA-N. The full InChI is InChI=1S/C13H15N/c1-2-7-11-14-13(10-6-1)12-8-4-3-5-9-12/h1-2,4,6,8,10-11H,3,5,7,9H2/b2-1?,10-6?,13-12?,14-11-.
What are the key properties of 8-cyclohex-2-en-1-ylidene-3H-azocine?
8-cyclohex-2-en-1-ylidene-3H-azocine has a molecular weight of 185.27 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohex-2-en-1-ylidene-3H-azocine is sourced from PubChem (CID 57325378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).