(3Z)-2-ethenyliminohexa-3,5-dienal

C8H9NO — CID 89248761

IUPAC(3Z)-2-ethenyliminohexa-3,5-dienal
SMILESC=C/C=C\C(C=O)=N\C=C
InChIInChI=1S/C8H9NO/c1-3-5-6-8(7-10)9-4-2/h3-7H,1-2H2/b6-5-,9-8-
InChIKeyHHYFWRRWAZUEBT-AFJQJTPPSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds4

About (3Z)-2-ethenyliminohexa-3,5-dienal

(3Z)-2-ethenyliminohexa-3,5-dienal (PubChem CID 89248761) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (3Z)-2-ethenyliminohexa-3,5-dienal.

Molecular Properties

Compound Name(3Z)-2-ethenyliminohexa-3,5-dienal
PubChem CID89248761
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(3Z)-2-ethenyliminohexa-3,5-dienal
SMILESC=C/C=C\C(C=O)=N\C=C
InChIInChI=1S/C8H9NO/c1-3-5-6-8(7-10)9-4-2/h3-7H,1-2H2/b6-5-,9-8-
InChIKeyHHYFWRRWAZUEBT-AFJQJTPPSA-N
XLogP1.51
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethenyliminohexa-3,5-dienal?
The IUPAC name of (3Z)-2-ethenyliminohexa-3,5-dienal (CID 89248761) is (3Z)-2-ethenyliminohexa-3,5-dienal.
What is the SMILES notation for (3Z)-2-ethenyliminohexa-3,5-dienal?
The canonical SMILES for (3Z)-2-ethenyliminohexa-3,5-dienal is C=C/C=C\C(C=O)=N\C=C.
What is the InChIKey of (3Z)-2-ethenyliminohexa-3,5-dienal?
The InChIKey is HHYFWRRWAZUEBT-AFJQJTPPSA-N. The full InChI is InChI=1S/C8H9NO/c1-3-5-6-8(7-10)9-4-2/h3-7H,1-2H2/b6-5-,9-8-.
What are the key properties of (3Z)-2-ethenyliminohexa-3,5-dienal?
(3Z)-2-ethenyliminohexa-3,5-dienal has a molecular weight of 135.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethenyliminohexa-3,5-dienal is sourced from PubChem (CID 89248761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).