(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol

C5H9NO2 — CID 148879304

IUPAC(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol
SMILESN/C=C(O)\C=C/CO
InChIInChI=1S/C5H9NO2/c6-4-5(8)2-1-3-7/h1-2,4,7-8H,3,6H2/b2-1-,5-4+
InChIKeyPCSUCFSCPRCPMH-RKKGELDJSA-N
MW115.13 g/mol
LogP-0.11
Rot. Bonds2

About (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol

(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol (PubChem CID 148879304) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol
PubChem CID148879304
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol
SMILESN/C=C(O)\C=C/CO
InChIInChI=1S/C5H9NO2/c6-4-5(8)2-1-3-7/h1-2,4,7-8H,3,6H2/b2-1-,5-4+
InChIKeyPCSUCFSCPRCPMH-RKKGELDJSA-N
XLogP-0.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol?
The IUPAC name of (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol (CID 148879304) is (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol.
What is the SMILES notation for (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol?
The canonical SMILES for (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol is N/C=C(O)\C=C/CO.
What is the InChIKey of (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol?
The InChIKey is PCSUCFSCPRCPMH-RKKGELDJSA-N. The full InChI is InChI=1S/C5H9NO2/c6-4-5(8)2-1-3-7/h1-2,4,7-8H,3,6H2/b2-1-,5-4+.
What are the key properties of (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol?
(2Z,4E)-5-aminopenta-2,4-diene-1,4-diol has a molecular weight of 115.13 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-aminopenta-2,4-diene-1,4-diol is sourced from PubChem (CID 148879304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).