4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile

C10H14N2O — CID 54363143

IUPAC4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile
SMILESCC(C=CC#N)=CN1CCOCC1
InChIInChI=1S/C10H14N2O/c1-10(3-2-4-11)9-12-5-7-13-8-6-12/h2-3,9H,5-8H2,1H3
InChIKeyUNXCUPSUFGZLQW-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.30
Rot. Bonds2

About 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile

4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile (PubChem CID 54363143) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile
PubChem CID54363143
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile
SMILESCC(C=CC#N)=CN1CCOCC1
InChIInChI=1S/C10H14N2O/c1-10(3-2-4-11)9-12-5-7-13-8-6-12/h2-3,9H,5-8H2,1H3
InChIKeyUNXCUPSUFGZLQW-UHFFFAOYSA-N
XLogP1.30
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile?
The IUPAC name of 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile (CID 54363143) is 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile.
What is the SMILES notation for 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile?
The canonical SMILES for 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile is CC(C=CC#N)=CN1CCOCC1.
What is the InChIKey of 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile?
The InChIKey is UNXCUPSUFGZLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(3-2-4-11)9-12-5-7-13-8-6-12/h2-3,9H,5-8H2,1H3.
What are the key properties of 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile?
4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile has a molecular weight of 178.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile is sourced from PubChem (CID 54363143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).