4-iminopentane-1,2,3-triol

C5H11NO3 — CID 88890958

IUPAC4-iminopentane-1,2,3-triol
SMILES[H]/N=C(\C)C(O)C(O)CO
InChIInChI=1S/C5H11NO3/c1-3(6)5(9)4(8)2-7/h4-9H,2H2,1H3/b6-3+
InChIKeyMFXSBICPPIGTOE-ZZXKWVIFSA-N
MW133.15 g/mol
LogP-1.26
Rot. Bonds3

About 4-iminopentane-1,2,3-triol

4-iminopentane-1,2,3-triol (PubChem CID 88890958) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4-iminopentane-1,2,3-triol.

Molecular Properties

Compound Name4-iminopentane-1,2,3-triol
PubChem CID88890958
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name4-iminopentane-1,2,3-triol
SMILES[H]/N=C(\C)C(O)C(O)CO
InChIInChI=1S/C5H11NO3/c1-3(6)5(9)4(8)2-7/h4-9H,2H2,1H3/b6-3+
InChIKeyMFXSBICPPIGTOE-ZZXKWVIFSA-N
XLogP-1.26
TPSA84.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iminopentane-1,2,3-triol?
The IUPAC name of 4-iminopentane-1,2,3-triol (CID 88890958) is 4-iminopentane-1,2,3-triol.
What is the SMILES notation for 4-iminopentane-1,2,3-triol?
The canonical SMILES for 4-iminopentane-1,2,3-triol is [H]/N=C(\C)C(O)C(O)CO.
What is the InChIKey of 4-iminopentane-1,2,3-triol?
The InChIKey is MFXSBICPPIGTOE-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(6)5(9)4(8)2-7/h4-9H,2H2,1H3/b6-3+.
What are the key properties of 4-iminopentane-1,2,3-triol?
4-iminopentane-1,2,3-triol has a molecular weight of 133.15 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminopentane-1,2,3-triol is sourced from PubChem (CID 88890958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).