lithium 1H-2-benzofuran-1-ide

C8H5LiO — CID 13221821

IUPAClithium 1H-2-benzofuran-1-ide
SMILES[Li+].[c-]1occ2ccccc12
InChIInChI=1S/C8H5O.Li/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H;/q-1;+1
InChIKeyNAIUAPKHMTZZPY-UHFFFAOYSA-N
MW124.07 g/mol
LogP-0.76
Rot. Bonds

About lithium 1H-2-benzofuran-1-ide

lithium 1H-2-benzofuran-1-ide (PubChem CID 13221821) has the molecular formula C8H5LiO and a molecular weight of 124.07 g/mol. Its IUPAC name is lithium 1H-2-benzofuran-1-ide.

Molecular Properties

Compound Namelithium 1H-2-benzofuran-1-ide
PubChem CID13221821
Molecular FormulaC8H5LiO
Molecular Weight124.07 g/mol
Exact Mass124.05
IUPAC Namelithium 1H-2-benzofuran-1-ide
SMILES[Li+].[c-]1occ2ccccc12
InChIInChI=1S/C8H5O.Li/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H;/q-1;+1
InChIKeyNAIUAPKHMTZZPY-UHFFFAOYSA-N
XLogP-0.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.07
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Benzoxepine
CID 20256803
Cyclopenta [g]-2-benzopyrane
CID 23282440
1-Methylcyclopenta[g]isochromene
CID 19010385
1,7a-Dihydro-2-benzofuran
CID 20067307
Cyclohepta[c]pyran
CID 56623155
5-Methyl-6,7-dihydrocyclopenta[c]pyran
CID 57283553
6,7-Dihydrocyclopenta[c]pyran
CID 57317500
(6-Methylidenecyclohexa-2,4-dien-1-ylidene)methanolate
CID 58646280
3-phenyl-2H-furan-2-ide;yttrium
CID 58813615
3-[(Z)-prop-1-enyl]-2H-furan-2-ide;tungsten(2+)
CID 59626941
[(Z)-3-(3,5-dihydro-2H-furan-5-id-4-yl)prop-2-enylidene]tungsten;tungsten
CID 59651809
[(Z)-3-(2H-furan-2-id-3-yl)prop-2-enylidene]tungsten;tungsten
CID 59651844

Frequently Asked Questions

What is the IUPAC name of lithium 1H-2-benzofuran-1-ide?
The IUPAC name of lithium 1H-2-benzofuran-1-ide (CID 13221821) is lithium 1H-2-benzofuran-1-ide.
What is the SMILES notation for lithium 1H-2-benzofuran-1-ide?
The canonical SMILES for lithium 1H-2-benzofuran-1-ide is [Li+].[c-]1occ2ccccc12.
What is the InChIKey of lithium 1H-2-benzofuran-1-ide?
The InChIKey is NAIUAPKHMTZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5O.Li/c1-2-4-8-6-9-5-7(8)3-1;/h1-5H;/q-1;+1.
What are the key properties of lithium 1H-2-benzofuran-1-ide?
lithium 1H-2-benzofuran-1-ide has a molecular weight of 124.07 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1H-2-benzofuran-1-ide is sourced from PubChem (CID 13221821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).