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

C10H18N2O2 — CID 143691641

IUPACethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen
SMILESC=C(C)/N=C1\NC(=O)COC1=C.CC.[H][H]
InChIInChI=1S/C8H10N2O2.C2H6.H2/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;1H
InChIKeyBIBYFPGIGWMQFM-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.85
Rot. Bonds1

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

ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen (PubChem CID 143691641) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen
PubChem CID143691641
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen
SMILESC=C(C)/N=C1\NC(=O)COC1=C.CC.[H][H]
InChIInChI=1S/C8H10N2O2.C2H6.H2/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;1H
InChIKeyBIBYFPGIGWMQFM-UHFFFAOYSA-N
XLogP1.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen?
The IUPAC name of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen (CID 143691641) is ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen.
What is the SMILES notation for ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen?
The canonical SMILES for ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen is C=C(C)/N=C1\NC(=O)COC1=C.CC.[H][H].
What is the InChIKey of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen?
The InChIKey is BIBYFPGIGWMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6.H2/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;1H.
What are the key properties of ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen?
ethane;6-methylidene-5-prop-1-en-2-yliminomorpholin-3-one;molecular hydrogen has a molecular weight of 198.27 g/mol, XLogP of 1.85, 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;molecular hydrogen is sourced from PubChem (CID 143691641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).