(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine

C15H27N3O — CID 142077705

IUPAC(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine
SMILESCC/C(C)=C\C=C(/C)C#N.CON1CCNC1(C)C
InChIInChI=1S/C9H13N.C6H14N2O/c1-4-8(2)5-6-9(3)7-10;1-6(2)7-4-5-8(6)9-3/h5-6H,4H2,1-3H3;7H,4-5H2,1-3H3/b8-5-,9-6+;
InChIKeyZMFHDHRIRHMWHV-BJHRKZFFSA-N
MW265.40 g/mol
LogP3.00
Rot. Bonds3

About (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine

(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine (PubChem CID 142077705) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine.

Molecular Properties

Compound Name(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine
PubChem CID142077705
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine
SMILESCC/C(C)=C\C=C(/C)C#N.CON1CCNC1(C)C
InChIInChI=1S/C9H13N.C6H14N2O/c1-4-8(2)5-6-9(3)7-10;1-6(2)7-4-5-8(6)9-3/h5-6H,4H2,1-3H3;7H,4-5H2,1-3H3/b8-5-,9-6+;
InChIKeyZMFHDHRIRHMWHV-BJHRKZFFSA-N
XLogP3.00
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine?
The IUPAC name of (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine (CID 142077705) is (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine.
What is the SMILES notation for (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine?
The canonical SMILES for (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine is CC/C(C)=C\C=C(/C)C#N.CON1CCNC1(C)C.
What is the InChIKey of (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine?
The InChIKey is ZMFHDHRIRHMWHV-BJHRKZFFSA-N. The full InChI is InChI=1S/C9H13N.C6H14N2O/c1-4-8(2)5-6-9(3)7-10;1-6(2)7-4-5-8(6)9-3/h5-6H,4H2,1-3H3;7H,4-5H2,1-3H3/b8-5-,9-6+;.
What are the key properties of (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine?
(2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine has a molecular weight of 265.40 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,5-dimethylhepta-2,4-dienenitrile;1-methoxy-2,2-dimethylimidazolidine is sourced from PubChem (CID 142077705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).