(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal

C8H10N2O — CID 143189898

IUPAC(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal
SMILES[H]/N=C/C(C=C)=C/C(C=O)=N/C
InChIInChI=1S/C8H10N2O/c1-3-7(5-9)4-8(6-11)10-2/h3-6,9H,1H2,2H3/b7-4+,9-5+,10-8-
InChIKeyLGMZRERXCOZZDJ-DYOHBZSRSA-N
MW150.18 g/mol
LogP1.02
Rot. Bonds4

About (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal

(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal (PubChem CID 143189898) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal.

Molecular Properties

Compound Name(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal
PubChem CID143189898
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal
SMILES[H]/N=C/C(C=C)=C/C(C=O)=N/C
InChIInChI=1S/C8H10N2O/c1-3-7(5-9)4-8(6-11)10-2/h3-6,9H,1H2,2H3/b7-4+,9-5+,10-8-
InChIKeyLGMZRERXCOZZDJ-DYOHBZSRSA-N
XLogP1.02
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

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(3Z,5E)-5-ethylidene-8-methyl-6-methyliminonona-3,7-dienal
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(3Z)-2-ethyliminohexa-3,5-dienal
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(3Z)-4-methyl-2-propyliminohexa-3,5-dienal
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Frequently Asked Questions

What is the IUPAC name of (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal?
The IUPAC name of (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal (CID 143189898) is (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal.
What is the SMILES notation for (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal?
The canonical SMILES for (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal is [H]/N=C/C(C=C)=C/C(C=O)=N/C.
What is the InChIKey of (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal?
The InChIKey is LGMZRERXCOZZDJ-DYOHBZSRSA-N. The full InChI is InChI=1S/C8H10N2O/c1-3-7(5-9)4-8(6-11)10-2/h3-6,9H,1H2,2H3/b7-4+,9-5+,10-8-.
What are the key properties of (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal?
(3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal has a molecular weight of 150.18 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methanimidoyl-2-methyliminohexa-3,5-dienal is sourced from PubChem (CID 143189898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).