(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile

C15H24N2O — CID 12781848

IUPAC(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/C(C#N)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-13(2)5-4-6-14(3)11-15(12-16)17-7-9-18-10-8-17/h5,11,15H,4,6-10H2,1-3H3/b14-11+
InChIKeyZHEZIYIIGGKRJN-SDNWHVSQSA-N
MW248.37 g/mol
LogP2.90
Rot. Bonds5

About (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile

(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile (PubChem CID 12781848) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
PubChem CID12781848
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/C(C#N)N1CCOCC1
InChIInChI=1S/C15H24N2O/c1-13(2)5-4-6-14(3)11-15(12-16)17-7-9-18-10-8-17/h5,11,15H,4,6-10H2,1-3H3/b14-11+
InChIKeyZHEZIYIIGGKRJN-SDNWHVSQSA-N
XLogP2.90
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-morpholin-4-ylpent-3-enenitrile
CID 12781847
3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 70401956
1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane
CID 154452544
3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
CID 6320518
2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile
CID 74039330
(2S,3E)-2-[(E,1R)-1-hydroxybut-2-enyl]-4,8-dimethylnona-3,7-dienenitrile
CID 11806573
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
CID 10868752
2-[(5Z)-6,10-dimethyl-4-oxoundeca-5,9-dien-2-yl]propanedinitrile
CID 101233737
3,4-dimethyl-2-morpholin-4-ylpentanenitrile
CID 130735318
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770

Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile?
The IUPAC name of (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile (CID 12781848) is (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile.
What is the SMILES notation for (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile?
The canonical SMILES for (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile is CC(C)=CCC/C(C)=C/C(C#N)N1CCOCC1.
What is the InChIKey of (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile?
The InChIKey is ZHEZIYIIGGKRJN-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)5-4-6-14(3)11-15(12-16)17-7-9-18-10-8-17/h5,11,15H,4,6-10H2,1-3H3/b14-11+.
What are the key properties of (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile?
(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile has a molecular weight of 248.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile is sourced from PubChem (CID 12781848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).