(2E,4E)-5-aminopenta-2,4-dien-1-ol

C5H9NO — CID 55289709

IUPAC(2E,4E)-5-aminopenta-2,4-dien-1-ol
SMILESN/C=C/C=C/CO
InChIInChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1-4,7H,5-6H2/b3-1+,4-2+
InChIKeyIARGTHPPBBFFLJ-ZPUQHVIOSA-N
MW99.13 g/mol
LogP0.01
Rot. Bonds2

About (2E,4E)-5-aminopenta-2,4-dien-1-ol

(2E,4E)-5-aminopenta-2,4-dien-1-ol (PubChem CID 55289709) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (2E,4E)-5-aminopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-aminopenta-2,4-dien-1-ol
PubChem CID55289709
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(2E,4E)-5-aminopenta-2,4-dien-1-ol
SMILESN/C=C/C=C/CO
InChIInChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1-4,7H,5-6H2/b3-1+,4-2+
InChIKeyIARGTHPPBBFFLJ-ZPUQHVIOSA-N
XLogP0.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-aminopenta-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-aminopenta-2,4-dien-1-ol (CID 55289709) is (2E,4E)-5-aminopenta-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-aminopenta-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-aminopenta-2,4-dien-1-ol is N/C=C/C=C/CO.
What is the InChIKey of (2E,4E)-5-aminopenta-2,4-dien-1-ol?
The InChIKey is IARGTHPPBBFFLJ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C5H9NO/c6-4-2-1-3-5-7/h1-4,7H,5-6H2/b3-1+,4-2+.
What are the key properties of (2E,4E)-5-aminopenta-2,4-dien-1-ol?
(2E,4E)-5-aminopenta-2,4-dien-1-ol has a molecular weight of 99.13 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-aminopenta-2,4-dien-1-ol is sourced from PubChem (CID 55289709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).