6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one

C8H10N2O2 — CID 167258319

IUPAC6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one
SMILESC=C1OCC(=O)N/C1=N\C=C/C
InChIInChI=1S/C8H10N2O2/c1-3-4-9-8-6(2)12-5-7(11)10-8/h3-4H,2,5H2,1H3,(H,9,10,11)/b4-3-
InChIKeyGMOZIZGKFTYFDV-ARJAWSKDSA-N
MW166.18 g/mol
LogP0.58
Rot. Bonds1

About 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one

6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one (PubChem CID 167258319) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one.

Molecular Properties

Compound Name6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one
PubChem CID167258319
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one
SMILESC=C1OCC(=O)N/C1=N\C=C/C
InChIInChI=1S/C8H10N2O2/c1-3-4-9-8-6(2)12-5-7(11)10-8/h3-4H,2,5H2,1H3,(H,9,10,11)/b4-3-
InChIKeyGMOZIZGKFTYFDV-ARJAWSKDSA-N
XLogP0.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one?
The IUPAC name of 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one (CID 167258319) is 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one.
What is the SMILES notation for 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one?
The canonical SMILES for 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one is C=C1OCC(=O)N/C1=N\C=C/C.
What is the InChIKey of 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one?
The InChIKey is GMOZIZGKFTYFDV-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-4-9-8-6(2)12-5-7(11)10-8/h3-4H,2,5H2,1H3,(H,9,10,11)/b4-3-.
What are the key properties of 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one?
6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one has a molecular weight of 166.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5-[(Z)-prop-1-enyl]iminomorpholin-3-one is sourced from PubChem (CID 167258319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).