6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one

C11H18N2O2 — CID 175647969

IUPAC6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one
SMILESC=C1CCN(CC2CNC(=O)CO2)CC1
InChIInChI=1S/C11H18N2O2/c1-9-2-4-13(5-3-9)7-10-6-12-11(14)8-15-10/h10H,1-8H2,(H,12,14)
InChIKeyDEKXRFOGVCLYMY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds2

About 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one

6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one (PubChem CID 175647969) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one
PubChem CID175647969
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one
SMILESC=C1CCN(CC2CNC(=O)CO2)CC1
InChIInChI=1S/C11H18N2O2/c1-9-2-4-13(5-3-9)7-10-6-12-11(14)8-15-10/h10H,1-8H2,(H,12,14)
InChIKeyDEKXRFOGVCLYMY-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one?
The IUPAC name of 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one (CID 175647969) is 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one.
What is the SMILES notation for 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one?
The canonical SMILES for 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one is C=C1CCN(CC2CNC(=O)CO2)CC1.
What is the InChIKey of 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one?
The InChIKey is DEKXRFOGVCLYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-2-4-13(5-3-9)7-10-6-12-11(14)8-15-10/h10H,1-8H2,(H,12,14).
What are the key properties of 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one?
6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one is sourced from PubChem (CID 175647969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).