CID 89203804

C10H10BO — CID 89203804

IUPAC—
SMILESC[B]c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C10H10BO/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6H,3,5H2,1H3
InChIKeyIMOSPYHXTATFFB-UHFFFAOYSA-N
MW157.00 g/mol
LogP1.19
Rot. Bonds1

About CID 89203804

CID 89203804 (PubChem CID 89203804) has the molecular formula C10H10BO and a molecular weight of 157.00 g/mol.

Molecular Properties

Compound NameCID 89203804
PubChem CID89203804
Molecular FormulaC10H10BO
Molecular Weight157.00 g/mol
Exact Mass157.08
IUPAC Name—
SMILESC[B]c1ccc2c(c1)C(=O)CC2
InChIInChI=1S/C10H10BO/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6H,3,5H2,1H3
InChIKeyIMOSPYHXTATFFB-UHFFFAOYSA-N
XLogP1.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.00
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-nitroso-2,3-dihydroinden-1-one
CID 175309982
6-trimethylsilyloxy-2,3-dihydroinden-1-one
CID 167740000
6-(difluoromethyl)-2,3-dihydroinden-1-one
CID 55275022
(3-oxo-1,2-dihydroinden-5-yl)methyl methanesulfonate
CID 87732132
6-cyclohexyl-2,3-dihydroinden-1-one
CID 125481421
6-tri(propan-2-yl)silylsulfanyl-2,3-dihydroinden-1-one
CID 19969416
2-(3-oxo-1,2-dihydroinden-5-yl)acetonitrile
CID 69202093
6-(2-tritioethynyl)-2,3-dihydroinden-1-one
CID 59116422
6-(2-fluoro-4-methylphenyl)-2,3-dihydroinden-1-one
CID 169409882
6-(3-methyloxiran-2-yl)oxy-2,3-dihydroinden-1-one
CID 88755572
7-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 4520936

Frequently Asked Questions

What is the IUPAC name of CID 89203804?
The IUPAC name of CID 89203804 (CID 89203804) is not available.
What is the SMILES notation for CID 89203804?
The canonical SMILES for CID 89203804 is C[B]c1ccc2c(c1)C(=O)CC2.
What is the InChIKey of CID 89203804?
The InChIKey is IMOSPYHXTATFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BO/c1-11-8-4-2-7-3-5-10(12)9(7)6-8/h2,4,6H,3,5H2,1H3.
What are the key properties of CID 89203804?
CID 89203804 has a molecular weight of 157.00 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89203804 is sourced from PubChem (CID 89203804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).