CID 174033948

C10H9BO — CID 174033948

IUPAC—
SMILES[B]C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C10H9BO/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKeySSPQPXJFLMWLMN-UHFFFAOYSA-N
MW155.99 g/mol
LogP1.10
Rot. Bonds1

About CID 174033948

CID 174033948 (PubChem CID 174033948) has the molecular formula C10H9BO and a molecular weight of 155.99 g/mol.

Molecular Properties

Compound NameCID 174033948
PubChem CID174033948
Molecular FormulaC10H9BO
Molecular Weight155.99 g/mol
Exact Mass156.07
IUPAC Name—
SMILES[B]C(=O)C1Cc2ccccc2C1
InChIInChI=1S/C10H9BO/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKeySSPQPXJFLMWLMN-UHFFFAOYSA-N
XLogP1.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.99
LogP ≤ 51.10
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

disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
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1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 67808987
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
1-(2,3-dihydro-1H-inden-2-yl)-3,4,4-trimethylpentan-1-one
CID 106893048
2,3-dihydro-1H-inden-2-yl-(5-methylfuran-3-yl)methanone
CID 106893079
2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
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cyclopentyl(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
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CID 106893040
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841

Frequently Asked Questions

What is the IUPAC name of CID 174033948?
The IUPAC name of CID 174033948 (CID 174033948) is not available.
What is the SMILES notation for CID 174033948?
The canonical SMILES for CID 174033948 is [B]C(=O)C1Cc2ccccc2C1.
What is the InChIKey of CID 174033948?
The InChIKey is SSPQPXJFLMWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BO/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2.
What are the key properties of CID 174033948?
CID 174033948 has a molecular weight of 155.99 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174033948 is sourced from PubChem (CID 174033948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).