CID 88501626

C9H10AsN — CID 88501626

IUPAC—
SMILES[As]N1CCc2ccccc2C1
InChIInChI=1S/C9H10AsN/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2
InChIKeyVTWQGICUADYSKS-UHFFFAOYSA-N
MW207.11 g/mol
LogP1.13
Rot. Bonds

About CID 88501626

CID 88501626 (PubChem CID 88501626) has the molecular formula C9H10AsN and a molecular weight of 207.11 g/mol.

Molecular Properties

Compound NameCID 88501626
PubChem CID88501626
Molecular FormulaC9H10AsN
Molecular Weight207.11 g/mol
Exact Mass207.00
IUPAC Name—
SMILES[As]N1CCc2ccccc2C1
InChIInChI=1S/C9H10AsN/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2
InChIKeyVTWQGICUADYSKS-UHFFFAOYSA-N
XLogP1.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 51.13
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

2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
2-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 21276884
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112861158
2-(2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 141294642
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 91067326
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
1,2,3,4-tetrahydronaphthalene
CID 174531863
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 171627514
2-(5-iodopyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 115620482

Frequently Asked Questions

What is the IUPAC name of CID 88501626?
The IUPAC name of CID 88501626 (CID 88501626) is not available.
What is the SMILES notation for CID 88501626?
The canonical SMILES for CID 88501626 is [As]N1CCc2ccccc2C1.
What is the InChIKey of CID 88501626?
The InChIKey is VTWQGICUADYSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10AsN/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2.
What are the key properties of CID 88501626?
CID 88501626 has a molecular weight of 207.11 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88501626 is sourced from PubChem (CID 88501626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).