5-iminopent-2-ene-1,3-diol

C5H9NO2 — CID 173050171

IUPAC5-iminopent-2-ene-1,3-diol
SMILES[H]/N=C/CC(O)=CCO
InChIInChI=1S/C5H9NO2/c6-3-1-5(8)2-4-7/h2-3,6-8H,1,4H2/b5-2?,6-3+
InChIKeyFPEISLRHLKUIQM-WUJPMFQDSA-N
MW115.13 g/mol
LogP0.46
Rot. Bonds3

About 5-iminopent-2-ene-1,3-diol

5-iminopent-2-ene-1,3-diol (PubChem CID 173050171) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5-iminopent-2-ene-1,3-diol.

Molecular Properties

Compound Name5-iminopent-2-ene-1,3-diol
PubChem CID173050171
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5-iminopent-2-ene-1,3-diol
SMILES[H]/N=C/CC(O)=CCO
InChIInChI=1S/C5H9NO2/c6-3-1-5(8)2-4-7/h2-3,6-8H,1,4H2/b5-2?,6-3+
InChIKeyFPEISLRHLKUIQM-WUJPMFQDSA-N
XLogP0.46
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iminopent-2-ene-1,3-diol?
The IUPAC name of 5-iminopent-2-ene-1,3-diol (CID 173050171) is 5-iminopent-2-ene-1,3-diol.
What is the SMILES notation for 5-iminopent-2-ene-1,3-diol?
The canonical SMILES for 5-iminopent-2-ene-1,3-diol is [H]/N=C/CC(O)=CCO.
What is the InChIKey of 5-iminopent-2-ene-1,3-diol?
The InChIKey is FPEISLRHLKUIQM-WUJPMFQDSA-N. The full InChI is InChI=1S/C5H9NO2/c6-3-1-5(8)2-4-7/h2-3,6-8H,1,4H2/b5-2?,6-3+.
What are the key properties of 5-iminopent-2-ene-1,3-diol?
5-iminopent-2-ene-1,3-diol has a molecular weight of 115.13 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminopent-2-ene-1,3-diol is sourced from PubChem (CID 173050171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).