4-(cyanomethyl)morpholine-3-carboxamide

C7H11N3O2 — CID 83092724

IUPAC4-(cyanomethyl)morpholine-3-carboxamide
SMILESN#CCN1CCOCC1C(N)=O
InChIInChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-5-6(10)7(9)11/h6H,2-5H2,(H2,9,11)
InChIKeyYELGOIXLVOIWJB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-1.30
Rot. Bonds2

About 4-(cyanomethyl)morpholine-3-carboxamide

4-(cyanomethyl)morpholine-3-carboxamide (PubChem CID 83092724) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(cyanomethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyanomethyl)morpholine-3-carboxamide
PubChem CID83092724
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(cyanomethyl)morpholine-3-carboxamide
SMILESN#CCN1CCOCC1C(N)=O
InChIInChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-5-6(10)7(9)11/h6H,2-5H2,(H2,9,11)
InChIKeyYELGOIXLVOIWJB-UHFFFAOYSA-N
XLogP-1.30
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(cyanomethyl)morpholine-3-carboxamide 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 4-(cyanomethyl)morpholine-3-carboxamide?
The IUPAC name of 4-(cyanomethyl)morpholine-3-carboxamide (CID 83092724) is 4-(cyanomethyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyanomethyl)morpholine-3-carboxamide?
The canonical SMILES for 4-(cyanomethyl)morpholine-3-carboxamide is N#CCN1CCOCC1C(N)=O.
What is the InChIKey of 4-(cyanomethyl)morpholine-3-carboxamide?
The InChIKey is YELGOIXLVOIWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c8-1-2-10-3-4-12-5-6(10)7(9)11/h6H,2-5H2,(H2,9,11).
What are the key properties of 4-(cyanomethyl)morpholine-3-carboxamide?
4-(cyanomethyl)morpholine-3-carboxamide has a molecular weight of 169.18 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)morpholine-3-carboxamide is sourced from PubChem (CID 83092724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).