[(2E)-4-hydroxypenta-2,4-dienyl]azanium

C5H10NO+ — CID 58468457

IUPAC[(2E)-4-hydroxypenta-2,4-dienyl]azanium
SMILESC=C(O)/C=C/C[NH3+]
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/p+1/b3-2+
InChIKeyDBJYAJODVVWAMD-NSCUHMNNSA-O
MW100.14 g/mol
LogP-0.14
Rot. Bonds2

About [(2E)-4-hydroxypenta-2,4-dienyl]azanium

[(2E)-4-hydroxypenta-2,4-dienyl]azanium (PubChem CID 58468457) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is [(2E)-4-hydroxypenta-2,4-dienyl]azanium.

Molecular Properties

Compound Name[(2E)-4-hydroxypenta-2,4-dienyl]azanium
PubChem CID58468457
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Name[(2E)-4-hydroxypenta-2,4-dienyl]azanium
SMILESC=C(O)/C=C/C[NH3+]
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/p+1/b3-2+
InChIKeyDBJYAJODVVWAMD-NSCUHMNNSA-O
XLogP-0.14
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Aminohexa-2,4-dien-1-ol
CID 56635841
(3E)-5-aminopenta-1,3-dien-2-ol
CID 58468458
Ethanamine;phenol;vanadium(2+)
CID 59910462
(3Z,5E)-7-aminohepta-1,3,5-triene-2,5-diol
CID 88966159
(2E,4E)-1-aminohepta-2,4,6-triene-3,4-diol
CID 89017935
(3Z,5E)-5,6-diaminohexa-1,3,5-trien-2-ol
CID 89070377
(2E,4Z)-6-aminohexa-2,4-dien-3-ol
CID 89546379
(2E,4Z,6Z)-8-aminoocta-2,4,6-trien-3-ol
CID 132263644
(3Z)-5-aminopenta-1,3-dien-2-ol
CID 141786390
(3E)-4-(aminomethyl)hexa-1,3,5-trien-2-ol
CID 142354316
(2Z,4Z)-1-aminohepta-2,4,6-trien-3-ol
CID 144056542
ethanamine;(2E,4Z)-hepta-2,4,6-trien-3-ol
CID 144623593

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-hydroxypenta-2,4-dienyl]azanium?
The IUPAC name of [(2E)-4-hydroxypenta-2,4-dienyl]azanium (CID 58468457) is [(2E)-4-hydroxypenta-2,4-dienyl]azanium.
What is the SMILES notation for [(2E)-4-hydroxypenta-2,4-dienyl]azanium?
The canonical SMILES for [(2E)-4-hydroxypenta-2,4-dienyl]azanium is C=C(O)/C=C/C[NH3+].
What is the InChIKey of [(2E)-4-hydroxypenta-2,4-dienyl]azanium?
The InChIKey is DBJYAJODVVWAMD-NSCUHMNNSA-O. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/p+1/b3-2+.
What are the key properties of [(2E)-4-hydroxypenta-2,4-dienyl]azanium?
[(2E)-4-hydroxypenta-2,4-dienyl]azanium has a molecular weight of 100.14 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-hydroxypenta-2,4-dienyl]azanium is sourced from PubChem (CID 58468457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).