lithium 1-(1-ethoxyprop-2-enyl)benzotriazole

C11H12LiN3O — CID 10262493

IUPAClithium 1-(1-ethoxyprop-2-enyl)benzotriazole
SMILESC=C[C-](OCC)n1nnc2ccccc21.[Li+]
InChIInChI=1S/C11H12N3O.Li/c1-3-11(15-4-2)14-10-8-6-5-7-9(10)12-13-14;/h3,5-8H,1,4H2,2H3;/q-1;+1
InChIKeyKOIGIIXLIFFSNE-UHFFFAOYSA-N
MW209.18 g/mol
LogP-1.00
Rot. Bonds4

About lithium 1-(1-ethoxyprop-2-enyl)benzotriazole

lithium 1-(1-ethoxyprop-2-enyl)benzotriazole (PubChem CID 10262493) has the molecular formula C11H12LiN3O and a molecular weight of 209.18 g/mol. Its IUPAC name is lithium 1-(1-ethoxyprop-2-enyl)benzotriazole.

Molecular Properties

Compound Namelithium 1-(1-ethoxyprop-2-enyl)benzotriazole
PubChem CID10262493
Molecular FormulaC11H12LiN3O
Molecular Weight209.18 g/mol
Exact Mass209.11
IUPAC Namelithium 1-(1-ethoxyprop-2-enyl)benzotriazole
SMILESC=C[C-](OCC)n1nnc2ccccc21.[Li+]
InChIInChI=1S/C11H12N3O.Li/c1-3-11(15-4-2)14-10-8-6-5-7-9(10)12-13-14;/h3,5-8H,1,4H2,2H3;/q-1;+1
InChIKeyKOIGIIXLIFFSNE-UHFFFAOYSA-N
XLogP-1.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium 1-(1-ethoxyprop-2-enyl)benzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium 1-[ethoxy(furan-3-yl)methyl]benzotriazole
CID 10610610
lithium 1-[ethoxy(thiophen-2-yl)methyl]benzotriazole
CID 10849271
1-[8-(benzotriazol-1-yl)-3,8-diethoxydeca-1,9-dien-3-yl]benzotriazole
CID 3772019
1-(pent-1-en-3-yloxymethyl)benzotriazole
CID 3729105
lithium 1-[(Z)-1-ethoxyprop-1-enyl]benzotriazole
CID 23691160
1-(4-ethoxy-1-phenylnon-5-en-4-yl)benzotriazole
CID 3849071
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
1-[1-ethoxy-1-(furan-2-yl)but-3-enyl]benzotriazole
CID 10708118
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
methane;1-methoxybenzotriazole
CID 161160564
N'-[1-(benzotriazol-1-yl)prop-1-en-2-yl]-3-phenylpropanehydrazide
CID 5071113
N-ethylbenzotriazol-1-amine
CID 89402621

Frequently Asked Questions

What is the IUPAC name of lithium 1-(1-ethoxyprop-2-enyl)benzotriazole?
The IUPAC name of lithium 1-(1-ethoxyprop-2-enyl)benzotriazole (CID 10262493) is lithium 1-(1-ethoxyprop-2-enyl)benzotriazole.
What is the SMILES notation for lithium 1-(1-ethoxyprop-2-enyl)benzotriazole?
The canonical SMILES for lithium 1-(1-ethoxyprop-2-enyl)benzotriazole is C=C[C-](OCC)n1nnc2ccccc21.[Li+].
What is the InChIKey of lithium 1-(1-ethoxyprop-2-enyl)benzotriazole?
The InChIKey is KOIGIIXLIFFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O.Li/c1-3-11(15-4-2)14-10-8-6-5-7-9(10)12-13-14;/h3,5-8H,1,4H2,2H3;/q-1;+1.
What are the key properties of lithium 1-(1-ethoxyprop-2-enyl)benzotriazole?
lithium 1-(1-ethoxyprop-2-enyl)benzotriazole has a molecular weight of 209.18 g/mol, XLogP of -1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(1-ethoxyprop-2-enyl)benzotriazole is sourced from PubChem (CID 10262493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).