5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole

C14H19N3 — CID 123807390

IUPAC5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESC=C/C=C\C(=C/C)c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-10-16-14(17-13)12-8-6-9-15-12/h3-5,7,10,12,15H,1,6,8-9H2,2H3,(H,16,17)/b7-5-,11-4+
InChIKeyAPWAOJJOHJNNCD-WZXAJVQYSA-N
MW229.33 g/mol
LogP2.98
Rot. Bonds4

About 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole

5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 123807390) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID123807390
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole
SMILESC=C/C=C\C(=C/C)c1cnc(C2CCCN2)[nH]1
InChIInChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-10-16-14(17-13)12-8-6-9-15-12/h3-5,7,10,12,15H,1,6,8-9H2,2H3,(H,16,17)/b7-5-,11-4+
InChIKeyAPWAOJJOHJNNCD-WZXAJVQYSA-N
XLogP2.98
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole (CID 123807390) is 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole is C=C/C=C\C(=C/C)c1cnc(C2CCCN2)[nH]1.
What is the InChIKey of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is APWAOJJOHJNNCD-WZXAJVQYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-10-16-14(17-13)12-8-6-9-15-12/h3-5,7,10,12,15H,1,6,8-9H2,2H3,(H,16,17)/b7-5-,11-4+.
What are the key properties of 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole?
5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 229.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 123807390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).