(2E,4E)-6-aminohexa-2,4-dienoic acid

C6H9NO2 — CID 55284573

IUPAC(2E,4E)-6-aminohexa-2,4-dienoic acid
SMILESNC/C=C/C=C/C(=O)O
InChIInChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H,5,7H2,(H,8,9)/b3-1+,4-2+
InChIKeyQABSVNGMVHOAKF-ZPUQHVIOSA-N
MW127.14 g/mol
LogP0.14
Rot. Bonds3

About (2E,4E)-6-aminohexa-2,4-dienoic acid

(2E,4E)-6-aminohexa-2,4-dienoic acid (PubChem CID 55284573) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2E,4E)-6-aminohexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-aminohexa-2,4-dienoic acid
PubChem CID55284573
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2E,4E)-6-aminohexa-2,4-dienoic acid
SMILESNC/C=C/C=C/C(=O)O
InChIInChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H,5,7H2,(H,8,9)/b3-1+,4-2+
InChIKeyQABSVNGMVHOAKF-ZPUQHVIOSA-N
XLogP0.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (2E,4E)-6-aminohexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-aminohexa-2,4-dienoic acid (CID 55284573) is (2E,4E)-6-aminohexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-aminohexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-aminohexa-2,4-dienoic acid is NC/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-6-aminohexa-2,4-dienoic acid?
The InChIKey is QABSVNGMVHOAKF-ZPUQHVIOSA-N. The full InChI is InChI=1S/C6H9NO2/c7-5-3-1-2-4-6(8)9/h1-4H,5,7H2,(H,8,9)/b3-1+,4-2+.
What are the key properties of (2E,4E)-6-aminohexa-2,4-dienoic acid?
(2E,4E)-6-aminohexa-2,4-dienoic acid has a molecular weight of 127.14 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-aminohexa-2,4-dienoic acid is sourced from PubChem (CID 55284573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).