(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile

C11H16N2O2 — CID 162413592

IUPAC(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile
SMILESC=C(C#N)[C@H](C)CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O2/c1-9(10(2)8-12)7-11(14)13-3-5-15-6-4-13/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyXAYXFJYBTMYXOJ-SECBINFHSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

About (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile

(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile (PubChem CID 162413592) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile.

Molecular Properties

Compound Name(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile
PubChem CID162413592
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile
SMILESC=C(C#N)[C@H](C)CC(=O)N1CCOCC1
InChIInChI=1S/C11H16N2O2/c1-9(10(2)8-12)7-11(14)13-3-5-15-6-4-13/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyXAYXFJYBTMYXOJ-SECBINFHSA-N
XLogP0.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile 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 (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile?
The IUPAC name of (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile (CID 162413592) is (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile.
What is the SMILES notation for (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile?
The canonical SMILES for (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile is C=C(C#N)[C@H](C)CC(=O)N1CCOCC1.
What is the InChIKey of (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile?
The InChIKey is XAYXFJYBTMYXOJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(10(2)8-12)7-11(14)13-3-5-15-6-4-13/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile?
(3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentanenitrile is sourced from PubChem (CID 162413592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).