(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione

C11H15NO2 — CID 89352538

IUPAC(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione
SMILESC/C=N/C(=C\C=C(/C)C(C)=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-5-12-11(10(4)14)7-6-8(2)9(3)13/h5-7H,1-4H3/b8-6+,11-7-,12-5+
InChIKeyWPLFDQAZQMJHLU-FURROJBISA-N
MW193.25 g/mol
LogP2.09
Rot. Bonds4

About (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione

(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione (PubChem CID 89352538) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione.

Molecular Properties

Compound Name(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione
PubChem CID89352538
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione
SMILESC/C=N/C(=C\C=C(/C)C(C)=O)C(C)=O
InChIInChI=1S/C11H15NO2/c1-5-12-11(10(4)14)7-6-8(2)9(3)13/h5-7H,1-4H3/b8-6+,11-7-,12-5+
InChIKeyWPLFDQAZQMJHLU-FURROJBISA-N
XLogP2.09
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione?
The IUPAC name of (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione (CID 89352538) is (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione.
What is the SMILES notation for (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione?
The canonical SMILES for (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione is C/C=N/C(=C\C=C(/C)C(C)=O)C(C)=O.
What is the InChIKey of (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione?
The InChIKey is WPLFDQAZQMJHLU-FURROJBISA-N. The full InChI is InChI=1S/C11H15NO2/c1-5-12-11(10(4)14)7-6-8(2)9(3)13/h5-7H,1-4H3/b8-6+,11-7-,12-5+.
What are the key properties of (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione?
(3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione has a molecular weight of 193.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-(ethylideneamino)-6-methylocta-3,5-diene-2,7-dione is sourced from PubChem (CID 89352538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).