1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine

C12H20N2O — CID 142202947

IUPAC1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine
SMILESC/C=C(\C=C/C(=C\C)N1CCNC1)OC
InChIInChI=1S/C12H20N2O/c1-4-11(14-9-8-13-10-14)6-7-12(5-2)15-3/h4-7,13H,8-10H2,1-3H3/b7-6-,11-4+,12-5+
InChIKeyYSAWJNLZNGNSEO-ZUQMVMPSSA-N
MW208.30 g/mol
LogP1.86
Rot. Bonds4

About 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine

1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine (PubChem CID 142202947) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine.

Molecular Properties

Compound Name1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine
PubChem CID142202947
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine
SMILESC/C=C(\C=C/C(=C\C)N1CCNC1)OC
InChIInChI=1S/C12H20N2O/c1-4-11(14-9-8-13-10-14)6-7-12(5-2)15-3/h4-7,13H,8-10H2,1-3H3/b7-6-,11-4+,12-5+
InChIKeyYSAWJNLZNGNSEO-ZUQMVMPSSA-N
XLogP1.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine?
The IUPAC name of 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine (CID 142202947) is 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine.
What is the SMILES notation for 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine?
The canonical SMILES for 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine is C/C=C(\C=C/C(=C\C)N1CCNC1)OC.
What is the InChIKey of 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine?
The InChIKey is YSAWJNLZNGNSEO-ZUQMVMPSSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-11(14-9-8-13-10-14)6-7-12(5-2)15-3/h4-7,13H,8-10H2,1-3H3/b7-6-,11-4+,12-5+.
What are the key properties of 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine?
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine has a molecular weight of 208.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]imidazolidine is sourced from PubChem (CID 142202947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).