(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide

C10H17N3O3 — CID 153122907

IUPAC(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOC(=O)N1
InChIInChI=1S/C10H17N3O3/c1-8(2)11-9(14)4-3-5-13-6-7-16-10(15)12-13/h3-4,8H,5-7H2,1-2H3,(H,11,14)(H,12,15)/b4-3+
InChIKeyVVFNHSUVYVFPOH-ONEGZZNKSA-N
MW227.26 g/mol
LogP0.02
Rot. Bonds4

About (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide

(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide (PubChem CID 153122907) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
PubChem CID153122907
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
SMILESCC(C)NC(=O)/C=C/CN1CCOC(=O)N1
InChIInChI=1S/C10H17N3O3/c1-8(2)11-9(14)4-3-5-13-6-7-16-10(15)12-13/h3-4,8H,5-7H2,1-2H3,(H,11,14)(H,12,15)/b4-3+
InChIKeyVVFNHSUVYVFPOH-ONEGZZNKSA-N
XLogP0.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

1-{2-[(2-Methoxy-1-methylethyl)amino]ethyl}-1,2-dihydropyridazine-3,6-dione
CID 50961301
(E)-N-methyl-4-(2-oxo-1,3,4-oxadiazinan-4-yl)but-2-enamide
CID 118400730
(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
CID 129266124
ethane;(E)-N-methyl-4-(2-oxo-1,3,4-oxadiazinan-4-yl)but-2-enamide
CID 144927423
(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)but-2-enamide
CID 156128954
(E)-N-ethyl-4-(2-oxo-1,3,4-oxadiazinan-4-yl)but-2-enamide
CID 156128957
2-[2-[[(2S)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
CID 95126031
2-[2-[[(2R)-1-methoxypropan-2-yl]amino]ethyl]-1H-pyridazine-3,6-dione
CID 95126032

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide (CID 153122907) is (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide is CC(C)NC(=O)/C=C/CN1CCOC(=O)N1.
What is the InChIKey of (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The InChIKey is VVFNHSUVYVFPOH-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8(2)11-9(14)4-3-5-13-6-7-16-10(15)12-13/h3-4,8H,5-7H2,1-2H3,(H,11,14)(H,12,15)/b4-3+.
What are the key properties of (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
(E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide has a molecular weight of 227.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-oxo-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 153122907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).