ethane;5-[(E)-prop-1-enyl]morpholin-3-one

C9H17NO2 — CID 178009894

IUPACethane;5-[(E)-prop-1-enyl]morpholin-3-one
SMILESC/C=C/C1COCC(=O)N1.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-2-3-6-4-10-5-7(9)8-6;1-2/h2-3,6H,4-5H2,1H3,(H,8,9);1-2H3/b3-2+;
InChIKeyDFYIQQXAJANTIH-SQQVDAMQSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds1

About ethane;5-[(E)-prop-1-enyl]morpholin-3-one

ethane;5-[(E)-prop-1-enyl]morpholin-3-one (PubChem CID 178009894) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethane;5-[(E)-prop-1-enyl]morpholin-3-one.

Molecular Properties

Compound Nameethane;5-[(E)-prop-1-enyl]morpholin-3-one
PubChem CID178009894
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethane;5-[(E)-prop-1-enyl]morpholin-3-one
SMILESC/C=C/C1COCC(=O)N1.CC
InChIInChI=1S/C7H11NO2.C2H6/c1-2-3-6-4-10-5-7(9)8-6;1-2/h2-3,6H,4-5H2,1H3,(H,8,9);1-2H3/b3-2+;
InChIKeyDFYIQQXAJANTIH-SQQVDAMQSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(E)-prop-1-enyl]morpholin-3-one?
The IUPAC name of ethane;5-[(E)-prop-1-enyl]morpholin-3-one (CID 178009894) is ethane;5-[(E)-prop-1-enyl]morpholin-3-one.
What is the SMILES notation for ethane;5-[(E)-prop-1-enyl]morpholin-3-one?
The canonical SMILES for ethane;5-[(E)-prop-1-enyl]morpholin-3-one is C/C=C/C1COCC(=O)N1.CC.
What is the InChIKey of ethane;5-[(E)-prop-1-enyl]morpholin-3-one?
The InChIKey is DFYIQQXAJANTIH-SQQVDAMQSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-2-3-6-4-10-5-7(9)8-6;1-2/h2-3,6H,4-5H2,1H3,(H,8,9);1-2H3/b3-2+;.
What are the key properties of ethane;5-[(E)-prop-1-enyl]morpholin-3-one?
ethane;5-[(E)-prop-1-enyl]morpholin-3-one has a molecular weight of 171.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(E)-prop-1-enyl]morpholin-3-one is sourced from PubChem (CID 178009894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).