3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole

C15H16N2 — CID 143268068

IUPAC3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole
SMILESC/C=C\C(\C=C\c1n[nH]c2ccccc12)=C/C
InChIInChI=1S/C15H16N2/c1-3-7-12(4-2)10-11-15-13-8-5-6-9-14(13)16-17-15/h3-11H,1-2H3,(H,16,17)/b7-3-,11-10+,12-4+
InChIKeyLZWHPQQUDVQYOJ-RUHUQFOKSA-N
MW224.31 g/mol
LogP4.10
Rot. Bonds3

About 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole

3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole (PubChem CID 143268068) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole.

Molecular Properties

Compound Name3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole
PubChem CID143268068
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole
SMILESC/C=C\C(\C=C\c1n[nH]c2ccccc12)=C/C
InChIInChI=1S/C15H16N2/c1-3-7-12(4-2)10-11-15-13-8-5-6-9-14(13)16-17-15/h3-11H,1-2H3,(H,16,17)/b7-3-,11-10+,12-4+
InChIKeyLZWHPQQUDVQYOJ-RUHUQFOKSA-N
XLogP4.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole
CID 67415906
(E)-N-(2-aminoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
CID 143782020
N-(2-acetamidoethyl)-3-(1H-indazol-3-yl)-N-phenylprop-2-enamide
CID 74435227
N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
CID 173127897
3-[(E)-2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethenyl]-1H-indazole
CID 69377551
3-[(E)-2-(3-chlorophenyl)ethenyl]-1H-indazole
CID 141099178
4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
CID 67417108
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
CID 69004426
N-(3-cyclopropylphenyl)-3-(1H-indazol-3-yl)prop-2-enamide
CID 91469780

Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole?
The IUPAC name of 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole (CID 143268068) is 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole.
What is the SMILES notation for 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole?
The canonical SMILES for 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole is C/C=C\C(\C=C\c1n[nH]c2ccccc12)=C/C.
What is the InChIKey of 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole?
The InChIKey is LZWHPQQUDVQYOJ-RUHUQFOKSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-7-12(4-2)10-11-15-13-8-5-6-9-14(13)16-17-15/h3-11H,1-2H3,(H,16,17)/b7-3-,11-10+,12-4+.
What are the key properties of 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole?
3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole has a molecular weight of 224.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]-1H-indazole is sourced from PubChem (CID 143268068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).