CID 153368411

C10H10BNO — CID 153368411

IUPAC—
SMILES[B]C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C10H10BNO/c11-10(13)12-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyXPPVQYXPJCVCTK-UHFFFAOYSA-N
MW171.01 g/mol
LogP1.03
Rot. Bonds1

About CID 153368411

CID 153368411 (PubChem CID 153368411) has the molecular formula C10H10BNO and a molecular weight of 171.01 g/mol.

Molecular Properties

Compound NameCID 153368411
PubChem CID153368411
Molecular FormulaC10H10BNO
Molecular Weight171.01 g/mol
Exact Mass171.09
IUPAC Name—
SMILES[B]C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C10H10BNO/c11-10(13)12-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyXPPVQYXPJCVCTK-UHFFFAOYSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.01
LogP ≤ 51.03
H-Bond Donors ≤ 51
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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1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
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2-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methylpropanamide
CID 107851248
2-amino-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 14599683
N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxybenzamide
CID 104694730
CID 174033948
CID 174033948
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 107856148
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
N-(2,3-dihydro-1H-inden-2-yl)piperidine-4-carboxamide
CID 68885469
2-cyano-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 104694747
3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751

Frequently Asked Questions

What is the IUPAC name of CID 153368411?
The IUPAC name of CID 153368411 (CID 153368411) is not available.
What is the SMILES notation for CID 153368411?
The canonical SMILES for CID 153368411 is [B]C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of CID 153368411?
The InChIKey is XPPVQYXPJCVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BNO/c11-10(13)12-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of CID 153368411?
CID 153368411 has a molecular weight of 171.01 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153368411 is sourced from PubChem (CID 153368411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).