CID 23662091

C10H12B2LiNO — CID 23662091

IUPAC—
SMILESCB1NC2c3ccccc3CC2O1.[B-].[Li+]
InChIInChI=1S/C10H12BNO.B.Li/c1-11-12-10-8-5-3-2-4-7(8)6-9(10)13-11;;/h2-5,9-10,12H,6H2,1H3;;/q;-1;+1
InChIKeyLCGHTZCPKYGPMU-UHFFFAOYSA-N
MW190.78 g/mol
LogP-1.99
Rot. Bonds

About CID 23662091

CID 23662091 (PubChem CID 23662091) has the molecular formula C10H12B2LiNO and a molecular weight of 190.78 g/mol.

Molecular Properties

Compound NameCID 23662091
PubChem CID23662091
Molecular FormulaC10H12B2LiNO
Molecular Weight190.78 g/mol
Exact Mass191.13
IUPAC Name—
SMILESCB1NC2c3ccccc3CC2O1.[B-].[Li+]
InChIInChI=1S/C10H12BNO.B.Li/c1-11-12-10-8-5-3-2-4-7(8)6-9(10)13-11;;/h2-5,9-10,12H,6H2,1H3;;/q;-1;+1
InChIKeyLCGHTZCPKYGPMU-UHFFFAOYSA-N
XLogP-1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.78
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 158963489
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CID 11355770
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CID 59694666
(3aR,8bS)-2,2-dimethyl-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 89389775
(3aR,8bS)-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole-2-thione
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(2aR,7bS)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
CID 93492521
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
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1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(3aS,8bR)-2-[[(3aS,8bR)-2,3a,4,8b-tetrahydro-1H-indeno[1,2-d][1,3]oxazol-2-yl]methylidene]-1,3a,4,8b-tetrahydroindeno[1,2-d][1,3]oxazole
CID 162275079
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
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Frequently Asked Questions

What is the IUPAC name of CID 23662091?
The IUPAC name of CID 23662091 (CID 23662091) is not available.
What is the SMILES notation for CID 23662091?
The canonical SMILES for CID 23662091 is CB1NC2c3ccccc3CC2O1.[B-].[Li+].
What is the InChIKey of CID 23662091?
The InChIKey is LCGHTZCPKYGPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO.B.Li/c1-11-12-10-8-5-3-2-4-7(8)6-9(10)13-11;;/h2-5,9-10,12H,6H2,1H3;;/q;-1;+1.
What are the key properties of CID 23662091?
CID 23662091 has a molecular weight of 190.78 g/mol, XLogP of -1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23662091 is sourced from PubChem (CID 23662091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).