(2E,4Z)-3-aminohexa-2,4-dienal

C6H9NO — CID 143182224

IUPAC(2E,4Z)-3-aminohexa-2,4-dienal
SMILESC/C=C\C(N)=C/C=O
InChIInChI=1S/C6H9NO/c1-2-3-6(7)4-5-8/h2-5H,7H2,1H3/b3-2-,6-4+
InChIKeyIHYPSKDYVVJHEX-MGLVMYNNSA-N
MW111.14 g/mol
LogP0.60
Rot. Bonds2

About (2E,4Z)-3-aminohexa-2,4-dienal

(2E,4Z)-3-aminohexa-2,4-dienal (PubChem CID 143182224) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (2E,4Z)-3-aminohexa-2,4-dienal.

Molecular Properties

Compound Name(2E,4Z)-3-aminohexa-2,4-dienal
PubChem CID143182224
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(2E,4Z)-3-aminohexa-2,4-dienal
SMILESC/C=C\C(N)=C/C=O
InChIInChI=1S/C6H9NO/c1-2-3-6(7)4-5-8/h2-5H,7H2,1H3/b3-2-,6-4+
InChIKeyIHYPSKDYVVJHEX-MGLVMYNNSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11837505
Aminopentadienal
CID 129755219
(Z)-3-aminobut-2-enal
CID 20850103
3-Aminobut-2-enal
CID 54234844
6-(Methoxyamino)octa-2,4,6-trienal
CID 57189673
CID 89185794
CID 89185794
(2Z,4Z)-3-amino-2-methylhexa-2,4-dienal
CID 141797517
(2Z,4Z)-2-aminohepta-2,4,6-trienal
CID 143438033
(2Z,4E,6Z)-4-aminoocta-2,4,6-trienal
CID 143959899
(2Z,4E)-5-aminohexa-2,4-dienal
CID 148417296
(2E,4Z)-3-amino-5-(dimethylamino)penta-2,4-dienal
CID 163240969
(2Z)-2-aminopenta-2,4-dienal
CID 163888293

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-aminohexa-2,4-dienal?
The IUPAC name of (2E,4Z)-3-aminohexa-2,4-dienal (CID 143182224) is (2E,4Z)-3-aminohexa-2,4-dienal.
What is the SMILES notation for (2E,4Z)-3-aminohexa-2,4-dienal?
The canonical SMILES for (2E,4Z)-3-aminohexa-2,4-dienal is C/C=C\C(N)=C/C=O.
What is the InChIKey of (2E,4Z)-3-aminohexa-2,4-dienal?
The InChIKey is IHYPSKDYVVJHEX-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-3-6(7)4-5-8/h2-5H,7H2,1H3/b3-2-,6-4+.
What are the key properties of (2E,4Z)-3-aminohexa-2,4-dienal?
(2E,4Z)-3-aminohexa-2,4-dienal has a molecular weight of 111.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-aminohexa-2,4-dienal is sourced from PubChem (CID 143182224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).