ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one

C10H19NO2 — CID 54313842

IUPACethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCOCC1.CC
InChIInChI=1S/C8H13NO2.C2H6/c1-7(2)8(10)9-3-5-11-6-4-9;1-2/h1,3-6H2,2H3;1-2H3
InChIKeySMTHRUXZAJBGMO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.45
Rot. Bonds1

About ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one

ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 54313842) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one
PubChem CID54313842
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCOCC1.CC
InChIInChI=1S/C8H13NO2.C2H6/c1-7(2)8(10)9-3-5-11-6-4-9;1-2/h1,3-6H2,2H3;1-2H3
InChIKeySMTHRUXZAJBGMO-UHFFFAOYSA-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;2-methyl-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one (CID 54313842) is ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one is C=C(C)C(=O)N1CCOCC1.CC.
What is the InChIKey of ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is SMTHRUXZAJBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C2H6/c1-7(2)8(10)9-3-5-11-6-4-9;1-2/h1,3-6H2,2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-one?
ethane;2-methyl-1-morpholin-4-ylprop-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;2-methyl-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 54313842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).