CID 175336040

C9H8NSi — CID 175336040

IUPAC—
SMILESCn1c([Si])cc2ccccc21
InChIInChI=1S/C9H8NSi/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-6H,1H3
InChIKeyVDUWOCUJLRPEKV-UHFFFAOYSA-N
MW158.26 g/mol
LogP0.97
Rot. Bonds

About CID 175336040

CID 175336040 (PubChem CID 175336040) has the molecular formula C9H8NSi and a molecular weight of 158.26 g/mol.

Molecular Properties

Compound NameCID 175336040
PubChem CID175336040
Molecular FormulaC9H8NSi
Molecular Weight158.26 g/mol
Exact Mass158.04
IUPAC Name—
SMILESCn1c([Si])cc2ccccc21
InChIInChI=1S/C9H8NSi/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-6H,1H3
InChIKeyVDUWOCUJLRPEKV-UHFFFAOYSA-N
XLogP0.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.97
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

N,1-dimethylindol-2-amine
CID 11744928
benzene;1-methyl-2-phenylindole
CID 158316839
2-(bromomethyl)-1-methylindole
CID 58970525
2-ethynyl-1-methylindole
CID 12839097
1-methyl-2-propylindole
CID 13170349
3-iodo-1-methylquinolin-2-one
CID 15733001
3-amino-1-methylquinolin-2-one
CID 19417653
2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
N-[(1-methylindol-2-yl)methyl]hydroxylamine
CID 82653727
2-(2-bromophenyl)-1-methylindole
CID 127263547
methyl-(1-methylindol-2-yl)-triphenyl-λ5-phosphane
CID 173255900
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442

Frequently Asked Questions

What is the IUPAC name of CID 175336040?
The IUPAC name of CID 175336040 (CID 175336040) is not available.
What is the SMILES notation for CID 175336040?
The canonical SMILES for CID 175336040 is Cn1c([Si])cc2ccccc21.
What is the InChIKey of CID 175336040?
The InChIKey is VDUWOCUJLRPEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NSi/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-6H,1H3.
What are the key properties of CID 175336040?
CID 175336040 has a molecular weight of 158.26 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175336040 is sourced from PubChem (CID 175336040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).