(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide

C6H12N2O2 — CID 167175307

IUPAC(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCNO
InChIInChI=1S/C6H12N2O2/c1-2-3-6(9)7-4-5-8-10/h2-3,8,10H,4-5H2,1H3,(H,7,9)/b3-2+
InChIKeyZJTPJFQZMCYJQT-NSCUHMNNSA-N
MW144.17 g/mol
LogP-0.34
Rot. Bonds4

About (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide

(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide (PubChem CID 167175307) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide
PubChem CID167175307
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCNO
InChIInChI=1S/C6H12N2O2/c1-2-3-6(9)7-4-5-8-10/h2-3,8,10H,4-5H2,1H3,(H,7,9)/b3-2+
InChIKeyZJTPJFQZMCYJQT-NSCUHMNNSA-N
XLogP-0.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-[2-(hydroxyamino)ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide (CID 167175307) is (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide is C/C=C/C(=O)NCCNO.
What is the InChIKey of (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide?
The InChIKey is ZJTPJFQZMCYJQT-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-6(9)7-4-5-8-10/h2-3,8,10H,4-5H2,1H3,(H,7,9)/b3-2+.
What are the key properties of (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide?
(E)-N-[2-(hydroxyamino)ethyl]but-2-enamide has a molecular weight of 144.17 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(hydroxyamino)ethyl]but-2-enamide is sourced from PubChem (CID 167175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).