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

C5H9NO — CID 142616712

IUPAC(2E)-4-aminopenta-2,4-dien-2-ol
SMILESC=C(N)/C=C(\C)O
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,7H,1,6H2,2H3/b5-3+
InChIKeyLYWFERNQAWZAOA-HWKANZROSA-N
MW99.13 g/mol
LogP0.92
Rot. Bonds1

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

(2E)-4-aminopenta-2,4-dien-2-ol (PubChem CID 142616712) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (2E)-4-aminopenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E)-4-aminopenta-2,4-dien-2-ol
PubChem CID142616712
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(2E)-4-aminopenta-2,4-dien-2-ol
SMILESC=C(N)/C=C(\C)O
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,7H,1,6H2,2H3/b5-3+
InChIKeyLYWFERNQAWZAOA-HWKANZROSA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.92
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 (2E)-4-aminopenta-2,4-dien-2-ol?
The IUPAC name of (2E)-4-aminopenta-2,4-dien-2-ol (CID 142616712) is (2E)-4-aminopenta-2,4-dien-2-ol.
What is the SMILES notation for (2E)-4-aminopenta-2,4-dien-2-ol?
The canonical SMILES for (2E)-4-aminopenta-2,4-dien-2-ol is C=C(N)/C=C(\C)O.
What is the InChIKey of (2E)-4-aminopenta-2,4-dien-2-ol?
The InChIKey is LYWFERNQAWZAOA-HWKANZROSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,7H,1,6H2,2H3/b5-3+.
What are the key properties of (2E)-4-aminopenta-2,4-dien-2-ol?
(2E)-4-aminopenta-2,4-dien-2-ol has a molecular weight of 99.13 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-aminopenta-2,4-dien-2-ol is sourced from PubChem (CID 142616712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).