(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile

C11H14N2O — CID 14086801

IUPAC(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile
SMILESN#C/C=C\C=C/C=C\N1CCOCC1
InChIInChI=1S/C11H14N2O/c12-6-4-2-1-3-5-7-13-8-10-14-11-9-13/h1-5,7H,8-11H2/b3-1-,4-2-,7-5-
InChIKeyKCNFRHXZYFBJDH-GNKHWIIWSA-N
MW190.25 g/mol
LogP1.47
Rot. Bonds3

About (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile

(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile (PubChem CID 14086801) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile.

Molecular Properties

Compound Name(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile
PubChem CID14086801
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile
SMILESN#C/C=C\C=C/C=C\N1CCOCC1
InChIInChI=1S/C11H14N2O/c12-6-4-2-1-3-5-7-13-8-10-14-11-9-13/h1-5,7H,8-11H2/b3-1-,4-2-,7-5-
InChIKeyKCNFRHXZYFBJDH-GNKHWIIWSA-N
XLogP1.47
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.47
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'}

Analyze (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholineacrylonitrile, (E)-
CID 13139284
1-Morpholino-1,3-butadiene
CID 5372462
(E)-3-morpholin-4-ylbut-2-enenitrile
CID 2322435
4-(Buta-1,3-dien-1-yl)morpholine
CID 586981
2-(Morpholin-4-yl)penta-2,4-dienonitrile
CID 129771462
(Z)-3-morpholin-4-ylbut-2-enenitrile
CID 2322436
3-Morpholin-4-ylbut-2-enenitrile
CID 4049791
(2E,4E)-4-methyl-5-morpholin-4-ylpenta-2,4-dienenitrile
CID 19373522
3-Morpholinoacrylonitrile
CID 54263847
4-Methyl-5-morpholin-4-ylpenta-2,4-dienenitrile
CID 54363143
2-[(E)-3-morpholin-4-ylprop-2-enylidene]propanedinitrile
CID 58175153
4-Morpholin-4-ylbut-3-enenitrile
CID 141300723

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile?
The IUPAC name of (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile (CID 14086801) is (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile.
What is the SMILES notation for (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile?
The canonical SMILES for (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile is N#C/C=C\C=C/C=C\N1CCOCC1.
What is the InChIKey of (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile?
The InChIKey is KCNFRHXZYFBJDH-GNKHWIIWSA-N. The full InChI is InChI=1S/C11H14N2O/c12-6-4-2-1-3-5-7-13-8-10-14-11-9-13/h1-5,7H,8-11H2/b3-1-,4-2-,7-5-.
What are the key properties of (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile?
(2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-7-morpholin-4-ylhepta-2,4,6-trienenitrile is sourced from PubChem (CID 14086801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).