2-cyano-N-(2-morpholin-4-ylethyl)acetamide

C9H15N3O2 — CID 2404875

IUPAC2-cyano-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13)
InChIKeyXTRYMEQPQFHLFW-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.65
Rot. Bonds4

About 2-cyano-N-(2-morpholin-4-ylethyl)acetamide

2-cyano-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 2404875) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-cyano-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID2404875
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-cyano-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13)
InChIKeyXTRYMEQPQFHLFW-UHFFFAOYSA-N
XLogP-0.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-cyano-N-(2-morpholin-4-ylethyl)acetamide (CID 2404875) is 2-cyano-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-morpholin-4-ylethyl)acetamide is N#CCC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-cyano-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is XTRYMEQPQFHLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-2-1-9(13)11-3-4-12-5-7-14-8-6-12/h1,3-8H2,(H,11,13).
What are the key properties of 2-cyano-N-(2-morpholin-4-ylethyl)acetamide?
2-cyano-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 2404875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).