ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide

C10H22N2O2 — CID 144771085

IUPACethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide
SMILESCC.NC(=O)/C=C/CN1CCOCC1.[H][H]
InChIInChI=1S/C8H14N2O2.C2H6.H2/c9-8(11)2-1-3-10-4-6-12-7-5-10;1-2;/h1-2H,3-7H2,(H2,9,11);1-2H3;1H/b2-1+;;
InChIKeyIKUZUSSPHUMAOV-SEPHDYHBSA-N
MW202.30 g/mol
LogP0.63
Rot. Bonds3

About ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide

ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide (PubChem CID 144771085) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide
PubChem CID144771085
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide
SMILESCC.NC(=O)/C=C/CN1CCOCC1.[H][H]
InChIInChI=1S/C8H14N2O2.C2H6.H2/c9-8(11)2-1-3-10-4-6-12-7-5-10;1-2;/h1-2H,3-7H2,(H2,9,11);1-2H3;1H/b2-1+;;
InChIKeyIKUZUSSPHUMAOV-SEPHDYHBSA-N
XLogP0.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
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 ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide (CID 144771085) is ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide is CC.NC(=O)/C=C/CN1CCOCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide?
The InChIKey is IKUZUSSPHUMAOV-SEPHDYHBSA-N. The full InChI is InChI=1S/C8H14N2O2.C2H6.H2/c9-8(11)2-1-3-10-4-6-12-7-5-10;1-2;/h1-2H,3-7H2,(H2,9,11);1-2H3;1H/b2-1+;;.
What are the key properties of ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide?
ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide has a molecular weight of 202.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;(E)-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 144771085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).