N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

C12H16N2 — CID 166691743

IUPACN',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/N=C(\N)C(/C=C\C)=C(C=C)C=C
InChIInChI=1S/C12H16N2/c1-5-9-11(10(6-2)7-3)12(13)14-8-4/h5-9H,2-4H2,1H3,(H2,13,14)/b9-5-
InChIKeyZKXBALVYKCFBRY-UITAMQMPSA-N
MW188.27 g/mol
LogP2.73
Rot. Bonds5

About N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide

N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (PubChem CID 166691743) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.

Molecular Properties

Compound NameN',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
PubChem CID166691743
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC NameN',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
SMILESC=C/N=C(\N)C(/C=C\C)=C(C=C)C=C
InChIInChI=1S/C12H16N2/c1-5-9-11(10(6-2)7-3)12(13)14-8-4/h5-9H,2-4H2,1H3,(H2,13,14)/b9-5-
InChIKeyZKXBALVYKCFBRY-UITAMQMPSA-N
XLogP2.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide 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 N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The IUPAC name of N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide (CID 166691743) is N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide.
What is the SMILES notation for N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The canonical SMILES for N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is C=C/N=C(\N)C(/C=C\C)=C(C=C)C=C.
What is the InChIKey of N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
The InChIKey is ZKXBALVYKCFBRY-UITAMQMPSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-9-11(10(6-2)7-3)12(13)14-8-4/h5-9H,2-4H2,1H3,(H2,13,14)/b9-5-.
What are the key properties of N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide?
N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide has a molecular weight of 188.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-bis(ethenyl)-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide is sourced from PubChem (CID 166691743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).