2-cyano-N-propan-2-ylmorpholine-4-carboxamide

C9H15N3O2 — CID 78946088

IUPAC2-cyano-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H15N3O2/c1-7(2)11-9(13)12-3-4-14-8(5-10)6-12/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyJECYZZODGUFPHA-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.33
Rot. Bonds1

About 2-cyano-N-propan-2-ylmorpholine-4-carboxamide

2-cyano-N-propan-2-ylmorpholine-4-carboxamide (PubChem CID 78946088) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-cyano-N-propan-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-propan-2-ylmorpholine-4-carboxamide
PubChem CID78946088
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-cyano-N-propan-2-ylmorpholine-4-carboxamide
SMILESCC(C)NC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C9H15N3O2/c1-7(2)11-9(13)12-3-4-14-8(5-10)6-12/h7-8H,3-4,6H2,1-2H3,(H,11,13)
InChIKeyJECYZZODGUFPHA-UHFFFAOYSA-N
XLogP0.33
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-propan-2-ylmorpholine-4-carboxamide?
The IUPAC name of 2-cyano-N-propan-2-ylmorpholine-4-carboxamide (CID 78946088) is 2-cyano-N-propan-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-propan-2-ylmorpholine-4-carboxamide?
The canonical SMILES for 2-cyano-N-propan-2-ylmorpholine-4-carboxamide is CC(C)NC(=O)N1CCOC(C#N)C1.
What is the InChIKey of 2-cyano-N-propan-2-ylmorpholine-4-carboxamide?
The InChIKey is JECYZZODGUFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(2)11-9(13)12-3-4-14-8(5-10)6-12/h7-8H,3-4,6H2,1-2H3,(H,11,13).
What are the key properties of 2-cyano-N-propan-2-ylmorpholine-4-carboxamide?
2-cyano-N-propan-2-ylmorpholine-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propan-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 78946088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).