(E)-3-(hydroxyamino)prop-2-enamide

C3H6N2O2 — CID 87475378

IUPAC(E)-3-(hydroxyamino)prop-2-enamide
SMILESNC(=O)/C=C/NO
InChIInChI=1S/C3H6N2O2/c4-3(6)1-2-5-7/h1-2,5,7H,(H2,4,6)/b2-1+
InChIKeyBMUUBBIPYMNKNA-OWOJBTEDSA-N
MW102.09 g/mol
LogP-1.04
Rot. Bonds2

About (E)-3-(hydroxyamino)prop-2-enamide

(E)-3-(hydroxyamino)prop-2-enamide (PubChem CID 87475378) has the molecular formula C3H6N2O2 and a molecular weight of 102.09 g/mol. Its IUPAC name is (E)-3-(hydroxyamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(hydroxyamino)prop-2-enamide
PubChem CID87475378
Molecular FormulaC3H6N2O2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Name(E)-3-(hydroxyamino)prop-2-enamide
SMILESNC(=O)/C=C/NO
InChIInChI=1S/C3H6N2O2/c4-3(6)1-2-5-7/h1-2,5,7H,(H2,4,6)/b2-1+
InChIKeyBMUUBBIPYMNKNA-OWOJBTEDSA-N
XLogP-1.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(hydroxyamino)prop-2-enamide?
The IUPAC name of (E)-3-(hydroxyamino)prop-2-enamide (CID 87475378) is (E)-3-(hydroxyamino)prop-2-enamide.
What is the SMILES notation for (E)-3-(hydroxyamino)prop-2-enamide?
The canonical SMILES for (E)-3-(hydroxyamino)prop-2-enamide is NC(=O)/C=C/NO.
What is the InChIKey of (E)-3-(hydroxyamino)prop-2-enamide?
The InChIKey is BMUUBBIPYMNKNA-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H6N2O2/c4-3(6)1-2-5-7/h1-2,5,7H,(H2,4,6)/b2-1+.
What are the key properties of (E)-3-(hydroxyamino)prop-2-enamide?
(E)-3-(hydroxyamino)prop-2-enamide has a molecular weight of 102.09 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(hydroxyamino)prop-2-enamide is sourced from PubChem (CID 87475378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).