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

C10H14N2O2 — CID 143691637

IUPAC6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one
SMILESC=C(CCC)/N=C1\NC(=O)COC1=C
InChIInChI=1S/C10H14N2O2/c1-4-5-7(2)11-10-8(3)14-6-9(13)12-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyTVCNWOSRCGVRCX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.36
Rot. Bonds3

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

6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one (PubChem CID 143691637) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one.

Molecular Properties

Compound Name6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one
PubChem CID143691637
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one
SMILESC=C(CCC)/N=C1\NC(=O)COC1=C
InChIInChI=1S/C10H14N2O2/c1-4-5-7(2)11-10-8(3)14-6-9(13)12-10/h2-6H2,1H3,(H,11,12,13)
InChIKeyTVCNWOSRCGVRCX-UHFFFAOYSA-N
XLogP1.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one 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 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one?
The IUPAC name of 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one (CID 143691637) is 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one.
What is the SMILES notation for 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one?
The canonical SMILES for 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one is C=C(CCC)/N=C1\NC(=O)COC1=C.
What is the InChIKey of 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one?
The InChIKey is TVCNWOSRCGVRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-5-7(2)11-10-8(3)14-6-9(13)12-10/h2-6H2,1H3,(H,11,12,13).
What are the key properties of 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one?
6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one has a molecular weight of 194.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5-pent-1-en-2-yliminomorpholin-3-one is sourced from PubChem (CID 143691637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).