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

C11H19N3O2 — CID 129266124

IUPAC(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
SMILESC=C1NN(C/C=C/C(=O)NC(C)C)CCO1
InChIInChI=1S/C11H19N3O2/c1-9(2)12-11(15)5-4-6-14-7-8-16-10(3)13-14/h4-5,9,13H,3,6-8H2,1-2H3,(H,12,15)/b5-4+
InChIKeyYUXVPHUYTMEFLD-SNAWJCMRSA-N
MW225.29 g/mol
LogP0.38
Rot. Bonds4

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

(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide (PubChem CID 129266124) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
PubChem CID129266124
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide
SMILESC=C1NN(C/C=C/C(=O)NC(C)C)CCO1
InChIInChI=1S/C11H19N3O2/c1-9(2)12-11(15)5-4-6-14-7-8-16-10(3)13-14/h4-5,9,13H,3,6-8H2,1-2H3,(H,12,15)/b5-4+
InChIKeyYUXVPHUYTMEFLD-SNAWJCMRSA-N
XLogP0.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide (CID 129266124) is (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide is C=C1NN(C/C=C/C(=O)NC(C)C)CCO1.
What is the InChIKey of (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
The InChIKey is YUXVPHUYTMEFLD-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(2)12-11(15)5-4-6-14-7-8-16-10(3)13-14/h4-5,9,13H,3,6-8H2,1-2H3,(H,12,15)/b5-4+.
What are the key properties of (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide?
(E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide has a molecular weight of 225.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methylidene-1,3,4-oxadiazinan-4-yl)-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 129266124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).