6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one

C8H10N2O2 — CID 143691634

IUPAC6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
SMILESC=C(C)/N=C1\NC(=O)COC1=C
InChIInChI=1S/C8H10N2O2/c1-5(2)9-8-6(3)12-4-7(11)10-8/h1,3-4H2,2H3,(H,9,10,11)
InChIKeyDFCSHZBKJDPREN-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.58
Rot. Bonds1

About 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one

6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one (PubChem CID 143691634) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one.

Molecular Properties

Compound Name6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
PubChem CID143691634
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
SMILESC=C(C)/N=C1\NC(=O)COC1=C
InChIInChI=1S/C8H10N2O2/c1-5(2)9-8-6(3)12-4-7(11)10-8/h1,3-4H2,2H3,(H,9,10,11)
InChIKeyDFCSHZBKJDPREN-UHFFFAOYSA-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-prop-1-en-2-yliminomorpholin-3-one?
The IUPAC name of 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one (CID 143691634) is 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one.
What is the SMILES notation for 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
The canonical SMILES for 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one is C=C(C)/N=C1\NC(=O)COC1=C.
What is the InChIKey of 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
The InChIKey is DFCSHZBKJDPREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5(2)9-8-6(3)12-4-7(11)10-8/h1,3-4H2,2H3,(H,9,10,11).
What are the key properties of 6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
6-methylidene-5-prop-1-en-2-yliminomorpholin-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-prop-1-en-2-yliminomorpholin-3-one is sourced from PubChem (CID 143691634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).