ethane;(E)-1-morpholin-4-ylbut-2-en-1-one

C10H19NO2 — CID 143019024

IUPACethane;(E)-1-morpholin-4-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCOCC1.CC
InChIInChI=1S/C8H13NO2.C2H6/c1-2-3-8(10)9-4-6-11-7-5-9;1-2/h2-3H,4-7H2,1H3;1-2H3/b3-2+;
InChIKeySECWTXWLSZPBSK-SQQVDAMQSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds1

About ethane;(E)-1-morpholin-4-ylbut-2-en-1-one

ethane;(E)-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 143019024) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;(E)-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Nameethane;(E)-1-morpholin-4-ylbut-2-en-1-one
PubChem CID143019024
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;(E)-1-morpholin-4-ylbut-2-en-1-one
SMILESC/C=C/C(=O)N1CCOCC1.CC
InChIInChI=1S/C8H13NO2.C2H6/c1-2-3-8(10)9-4-6-11-7-5-9;1-2/h2-3H,4-7H2,1H3;1-2H3/b3-2+;
InChIKeySECWTXWLSZPBSK-SQQVDAMQSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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;(E)-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of ethane;(E)-1-morpholin-4-ylbut-2-en-1-one (CID 143019024) is ethane;(E)-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for ethane;(E)-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for ethane;(E)-1-morpholin-4-ylbut-2-en-1-one is C/C=C/C(=O)N1CCOCC1.CC.
What is the InChIKey of ethane;(E)-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is SECWTXWLSZPBSK-SQQVDAMQSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c1-2-3-8(10)9-4-6-11-7-5-9;1-2/h2-3H,4-7H2,1H3;1-2H3/b3-2+;.
What are the key properties of ethane;(E)-1-morpholin-4-ylbut-2-en-1-one?
ethane;(E)-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 143019024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).