2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine

C11H16N4 — CID 129103002

IUPAC2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
SMILESC/C=C(\C=C/N=C(N)N)C1=CCCC=N1
InChIInChI=1S/C11H16N4/c1-2-9(6-8-15-11(12)13)10-5-3-4-7-14-10/h2,5-8H,3-4H2,1H3,(H4,12,13,15)/b8-6-,9-2+
InChIKeyISLTWQYNHWWGIZ-OTVMBTGYSA-N
MW204.28 g/mol
LogP1.47
Rot. Bonds3

About 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine

2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine (PubChem CID 129103002) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine.

Molecular Properties

Compound Name2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
PubChem CID129103002
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine
SMILESC/C=C(\C=C/N=C(N)N)C1=CCCC=N1
InChIInChI=1S/C11H16N4/c1-2-9(6-8-15-11(12)13)10-5-3-4-7-14-10/h2,5-8H,3-4H2,1H3,(H4,12,13,15)/b8-6-,9-2+
InChIKeyISLTWQYNHWWGIZ-OTVMBTGYSA-N
XLogP1.47
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine?
The IUPAC name of 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine (CID 129103002) is 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine.
What is the SMILES notation for 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine?
The canonical SMILES for 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine is C/C=C(\C=C/N=C(N)N)C1=CCCC=N1.
What is the InChIKey of 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine?
The InChIKey is ISLTWQYNHWWGIZ-OTVMBTGYSA-N. The full InChI is InChI=1S/C11H16N4/c1-2-9(6-8-15-11(12)13)10-5-3-4-7-14-10/h2,5-8H,3-4H2,1H3,(H4,12,13,15)/b8-6-,9-2+.
What are the key properties of 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine?
2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine has a molecular weight of 204.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3E)-3-(3,4-dihydropyridin-6-yl)penta-1,3-dienyl]guanidine is sourced from PubChem (CID 129103002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).