(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal

C10H13NO — CID 89325284

IUPAC(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal
SMILESC=NC(C=O)C(=C)/C=C\C=C/C
InChIInChI=1S/C10H13NO/c1-4-5-6-7-9(2)10(8-12)11-3/h4-8,10H,2-3H2,1H3/b5-4-,7-6-
InChIKeyCIZQOXBAGKXYTM-RZSVFLSASA-N
MW163.22 g/mol
LogP1.94
Rot. Bonds5

About (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal

(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal (PubChem CID 89325284) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal.

Molecular Properties

Compound Name(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal
PubChem CID89325284
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal
SMILESC=NC(C=O)C(=C)/C=C\C=C/C
InChIInChI=1S/C10H13NO/c1-4-5-6-7-9(2)10(8-12)11-3/h4-8,10H,2-3H2,1H3/b5-4-,7-6-
InChIKeyCIZQOXBAGKXYTM-RZSVFLSASA-N
XLogP1.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.94
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 (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal?
The IUPAC name of (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal (CID 89325284) is (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal.
What is the SMILES notation for (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal?
The canonical SMILES for (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal is C=NC(C=O)C(=C)/C=C\C=C/C.
What is the InChIKey of (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal?
The InChIKey is CIZQOXBAGKXYTM-RZSVFLSASA-N. The full InChI is InChI=1S/C10H13NO/c1-4-5-6-7-9(2)10(8-12)11-3/h4-8,10H,2-3H2,1H3/b5-4-,7-6-.
What are the key properties of (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal?
(4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal has a molecular weight of 163.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-methylidene-2-(methylideneamino)octa-4,6-dienal is sourced from PubChem (CID 89325284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).