(E)-5-amino-1-hydroxypent-3-en-2-one

C5H9NO2 — CID 118667783

IUPAC(E)-5-amino-1-hydroxypent-3-en-2-one
SMILESNC/C=C/C(=O)CO
InChIInChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/b2-1+
InChIKeyNBPXNDKQOVVGNU-OWOJBTEDSA-N
MW115.13 g/mol
LogP-0.94
Rot. Bonds3

About (E)-5-amino-1-hydroxypent-3-en-2-one

(E)-5-amino-1-hydroxypent-3-en-2-one (PubChem CID 118667783) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (E)-5-amino-1-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-amino-1-hydroxypent-3-en-2-one
PubChem CID118667783
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(E)-5-amino-1-hydroxypent-3-en-2-one
SMILESNC/C=C/C(=O)CO
InChIInChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/b2-1+
InChIKeyNBPXNDKQOVVGNU-OWOJBTEDSA-N
XLogP-0.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-1-hydroxypent-3-en-2-one?
The IUPAC name of (E)-5-amino-1-hydroxypent-3-en-2-one (CID 118667783) is (E)-5-amino-1-hydroxypent-3-en-2-one.
What is the SMILES notation for (E)-5-amino-1-hydroxypent-3-en-2-one?
The canonical SMILES for (E)-5-amino-1-hydroxypent-3-en-2-one is NC/C=C/C(=O)CO.
What is the InChIKey of (E)-5-amino-1-hydroxypent-3-en-2-one?
The InChIKey is NBPXNDKQOVVGNU-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H9NO2/c6-3-1-2-5(8)4-7/h1-2,7H,3-4,6H2/b2-1+.
What are the key properties of (E)-5-amino-1-hydroxypent-3-en-2-one?
(E)-5-amino-1-hydroxypent-3-en-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-1-hydroxypent-3-en-2-one is sourced from PubChem (CID 118667783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).