2-cyano-N-morpholin-4-ylprop-2-enamide

C8H11N3O2 — CID 70606321

IUPAC2-cyano-N-morpholin-4-ylprop-2-enamide
SMILESC=C(C#N)C(=O)NN1CCOCC1
InChIInChI=1S/C8H11N3O2/c1-7(6-9)8(12)10-11-2-4-13-5-3-11/h1-5H2,(H,10,12)
InChIKeyCQMPSIRQTXCDPR-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.57
Rot. Bonds2

About 2-cyano-N-morpholin-4-ylprop-2-enamide

2-cyano-N-morpholin-4-ylprop-2-enamide (PubChem CID 70606321) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-cyano-N-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-morpholin-4-ylprop-2-enamide
PubChem CID70606321
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-cyano-N-morpholin-4-ylprop-2-enamide
SMILESC=C(C#N)C(=O)NN1CCOCC1
InChIInChI=1S/C8H11N3O2/c1-7(6-9)8(12)10-11-2-4-13-5-3-11/h1-5H2,(H,10,12)
InChIKeyCQMPSIRQTXCDPR-UHFFFAOYSA-N
XLogP-0.57
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-morpholin-4-ylprop-2-enamide?
The IUPAC name of 2-cyano-N-morpholin-4-ylprop-2-enamide (CID 70606321) is 2-cyano-N-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-N-morpholin-4-ylprop-2-enamide?
The canonical SMILES for 2-cyano-N-morpholin-4-ylprop-2-enamide is C=C(C#N)C(=O)NN1CCOCC1.
What is the InChIKey of 2-cyano-N-morpholin-4-ylprop-2-enamide?
The InChIKey is CQMPSIRQTXCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-7(6-9)8(12)10-11-2-4-13-5-3-11/h1-5H2,(H,10,12).
What are the key properties of 2-cyano-N-morpholin-4-ylprop-2-enamide?
2-cyano-N-morpholin-4-ylprop-2-enamide has a molecular weight of 181.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 70606321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).