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

C10H16N2O2 — CID 143691633

IUPACethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
SMILESC=C(C)/N=C1\NC(=O)COC1=C.CC
InChIInChI=1S/C8H10N2O2.C2H6/c1-5(2)9-8-6(3)12-4-7(11)10-8;1-2/h1,3-4H2,2H3,(H,9,10,11);1-2H3
InChIKeyCDHWFGABLDILIO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.60
Rot. Bonds1

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

ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one (PubChem CID 143691633) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one.

Molecular Properties

Compound Nameethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
PubChem CID143691633
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one
SMILESC=C(C)/N=C1\NC(=O)COC1=C.CC
InChIInChI=1S/C8H10N2O2.C2H6/c1-5(2)9-8-6(3)12-4-7(11)10-8;1-2/h1,3-4H2,2H3,(H,9,10,11);1-2H3
InChIKeyCDHWFGABLDILIO-UHFFFAOYSA-N
XLogP1.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.60
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 ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
The IUPAC name of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one (CID 143691633) is ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one.
What is the SMILES notation for ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
The canonical SMILES for ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one is C=C(C)/N=C1\NC(=O)COC1=C.CC.
What is the InChIKey of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
The InChIKey is CDHWFGABLDILIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6/c1-5(2)9-8-6(3)12-4-7(11)10-8;1-2/h1,3-4H2,2H3,(H,9,10,11);1-2H3.
What are the key properties of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one?
ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one has a molecular weight of 196.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one is sourced from PubChem (CID 143691633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).