(3E)-5-aminopenta-1,3-dien-2-ol

C5H9NO — CID 58468458

IUPAC(3E)-5-aminopenta-1,3-dien-2-ol
SMILESC=C(O)/C=C/CN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/b3-2+
InChIKeyDBJYAJODVVWAMD-NSCUHMNNSA-N
MW99.13 g/mol
LogP0.57
Rot. Bonds2

About (3E)-5-aminopenta-1,3-dien-2-ol

(3E)-5-aminopenta-1,3-dien-2-ol (PubChem CID 58468458) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (3E)-5-aminopenta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-5-aminopenta-1,3-dien-2-ol
PubChem CID58468458
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(3E)-5-aminopenta-1,3-dien-2-ol
SMILESC=C(O)/C=C/CN
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/b3-2+
InChIKeyDBJYAJODVVWAMD-NSCUHMNNSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-aminopenta-1,3-dien-2-ol?
The IUPAC name of (3E)-5-aminopenta-1,3-dien-2-ol (CID 58468458) is (3E)-5-aminopenta-1,3-dien-2-ol.
What is the SMILES notation for (3E)-5-aminopenta-1,3-dien-2-ol?
The canonical SMILES for (3E)-5-aminopenta-1,3-dien-2-ol is C=C(O)/C=C/CN.
What is the InChIKey of (3E)-5-aminopenta-1,3-dien-2-ol?
The InChIKey is DBJYAJODVVWAMD-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-3,7H,1,4,6H2/b3-2+.
What are the key properties of (3E)-5-aminopenta-1,3-dien-2-ol?
(3E)-5-aminopenta-1,3-dien-2-ol has a molecular weight of 99.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-aminopenta-1,3-dien-2-ol is sourced from PubChem (CID 58468458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).