1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole

C16H17N3O2 — CID 10708118

IUPAC1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
SMILESC=CCC(OCC)(c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-3-11-16(21-4-2,15-10-7-12-20-15)19-14-9-6-5-8-13(14)17-18-19/h3,5-10,12H,1,4,11H2,2H3
InChIKeyXEUZZGFUDBSNGQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.34
Rot. Bonds6

About 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole

1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole (PubChem CID 10708118) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole.

Molecular Properties

Compound Name1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
PubChem CID10708118
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
SMILESC=CCC(OCC)(c1ccco1)n1nnc2ccccc21
InChIInChI=1S/C16H17N3O2/c1-3-11-16(21-4-2,15-10-7-12-20-15)19-14-9-6-5-8-13(14)17-18-19/h3,5-10,12H,1,4,11H2,2H3
InChIKeyXEUZZGFUDBSNGQ-UHFFFAOYSA-N
XLogP3.34
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
CID 3772019
[1-(benzotriazol-1-yl)-1-phenoxybut-3-enyl]-decyl-dimethylsilane
CID 134997894
(E)-6-(benzotriazol-1-yl)-6-ethoxytetradec-4-en-7-one
CID 10571281
lithium 1-(1-ethoxyprop-2-enyl)benzotriazole
CID 10262493
1-(8-ethenylpentadecan-8-yl)benzotriazole
CID 5197931
1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
CID 3849071
[1-(benzotriazol-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethyl]-trimethylsilane
CID 3405189
3-(benzotriazol-1-yl)-3-ethoxy-5-phenylpent-4-yn-2-one
CID 3496644
ethyl 2-formyl-2-(furan-2-yl)pent-4-enoate
CID 122202558
1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
CID 162772868
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
1-[(E)-5-ethoxy-1-phenylnon-1-en-3-yn-5-yl]benzotriazole
CID 10498683

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole?
The IUPAC name of 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole (CID 10708118) is 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole.
What is the SMILES notation for 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole?
The canonical SMILES for 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole is C=CCC(OCC)(c1ccco1)n1nnc2ccccc21.
What is the InChIKey of 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole?
The InChIKey is XEUZZGFUDBSNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-11-16(21-4-2,15-10-7-12-20-15)19-14-9-6-5-8-13(14)17-18-19/h3,5-10,12H,1,4,11H2,2H3.
What are the key properties of 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole?
1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole has a molecular weight of 283.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole is sourced from PubChem (CID 10708118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).