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

C12H20N2O2 — CID 143841216

IUPAC2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane
SMILESC=C(C)/N=C1\NC(=O)C(C)(C)OC1=C.CC
InChIInChI=1S/C10H14N2O2.C2H6/c1-6(2)11-8-7(3)14-10(4,5)9(13)12-8;1-2/h1,3H2,2,4-5H3,(H,11,12,13);1-2H3
InChIKeyWGUGUZKJMWQBCA-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.38
Rot. Bonds1

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

2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane (PubChem CID 143841216) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane.

Molecular Properties

Compound Name2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane
PubChem CID143841216
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane
SMILESC=C(C)/N=C1\NC(=O)C(C)(C)OC1=C.CC
InChIInChI=1S/C10H14N2O2.C2H6/c1-6(2)11-8-7(3)14-10(4,5)9(13)12-8;1-2/h1,3H2,2,4-5H3,(H,11,12,13);1-2H3
InChIKeyWGUGUZKJMWQBCA-UHFFFAOYSA-N
XLogP2.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.38
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 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane?
The IUPAC name of 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane (CID 143841216) is 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane.
What is the SMILES notation for 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane?
The canonical SMILES for 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane is C=C(C)/N=C1\NC(=O)C(C)(C)OC1=C.CC.
What is the InChIKey of 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane?
The InChIKey is WGUGUZKJMWQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H6/c1-6(2)11-8-7(3)14-10(4,5)9(13)12-8;1-2/h1,3H2,2,4-5H3,(H,11,12,13);1-2H3.
What are the key properties of 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane?
2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane has a molecular weight of 224.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;ethane is sourced from PubChem (CID 143841216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).