(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine

C10H9N — CID 118983670

IUPAC(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\C=C=C
InChIInChI=1S/C10H9N/c1-2-3-6-9-7-4-5-8-10(9)11/h3-8,11H,1H2/b9-6-,11-10+
InChIKeyZOXRDBAMORROGG-KBCDKWTQSA-N
MW143.19 g/mol
LogP2.40
Rot. Bonds1

About (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine

(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine (PubChem CID 118983670) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine
PubChem CID118983670
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C\C=C=C
InChIInChI=1S/C10H9N/c1-2-3-6-9-7-4-5-8-10(9)11/h3-8,11H,1H2/b9-6-,11-10+
InChIKeyZOXRDBAMORROGG-KBCDKWTQSA-N
XLogP2.40
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine (CID 118983670) is (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C\C=C=C.
What is the InChIKey of (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is ZOXRDBAMORROGG-KBCDKWTQSA-N. The full InChI is InChI=1S/C10H9N/c1-2-3-6-9-7-4-5-8-10(9)11/h3-8,11H,1H2/b9-6-,11-10+.
What are the key properties of (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine?
(6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 143.19 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-buta-2,3-dienylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 118983670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).