1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone

C9H11NO — CID 168921885

IUPAC1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone
SMILESCC(=O)C1=C/CC/C=C/N=C\1
InChIInChI=1S/C9H11NO/c1-8(11)9-5-3-2-4-6-10-7-9/h4-7H,2-3H2,1H3/b6-4-,9-5+,10-7-
InChIKeyLLJWUMFUNOZIKD-QIQNESTRSA-N
MW149.19 g/mol
LogP1.88
Rot. Bonds1

About 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone

1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone (PubChem CID 168921885) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone.

Molecular Properties

Compound Name1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone
PubChem CID168921885
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone
SMILESCC(=O)C1=C/CC/C=C/N=C\1
InChIInChI=1S/C9H11NO/c1-8(11)9-5-3-2-4-6-10-7-9/h4-7H,2-3H2,1H3/b6-4-,9-5+,10-7-
InChIKeyLLJWUMFUNOZIKD-QIQNESTRSA-N
XLogP1.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone?
The IUPAC name of 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone (CID 168921885) is 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone.
What is the SMILES notation for 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone?
The canonical SMILES for 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone is CC(=O)C1=C/CC/C=C/N=C\1.
What is the InChIKey of 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone?
The InChIKey is LLJWUMFUNOZIKD-QIQNESTRSA-N. The full InChI is InChI=1S/C9H11NO/c1-8(11)9-5-3-2-4-6-10-7-9/h4-7H,2-3H2,1H3/b6-4-,9-5+,10-7-.
What are the key properties of 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone?
1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,6E)-4,5-dihydroazocin-7-yl]ethanone is sourced from PubChem (CID 168921885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).