1H-indole;oxozinc

C8H7NOZn — CID 174920230

IUPAC1H-indole;oxozinc
SMILESO=[Zn].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.O.Zn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;;
InChIKeyPYFITYRCDQGPRR-UHFFFAOYSA-N
MW198.54 g/mol
LogP2.05
Rot. Bonds

About 1H-indole;oxozinc

1H-indole;oxozinc (PubChem CID 174920230) has the molecular formula C8H7NOZn and a molecular weight of 198.54 g/mol. Its IUPAC name is 1H-indole;oxozinc.

Molecular Properties

Compound Name1H-indole;oxozinc
PubChem CID174920230
Molecular FormulaC8H7NOZn
Molecular Weight198.54 g/mol
Exact Mass196.98
IUPAC Name1H-indole;oxozinc
SMILESO=[Zn].c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.O.Zn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;;
InChIKeyPYFITYRCDQGPRR-UHFFFAOYSA-N
XLogP2.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.54
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1H-indole;oxozinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-indole;dihydrochloride
CID 18796541
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
bis(1H-indole);methanol
CID 70305490
ethane;1H-indole;methane
CID 169425426
formic acid;1H-indole
CID 146381063
acetaldehyde;1H-indole
CID 22501409
1H-indole;1,4,7-triazonane
CID 158488040
acetic acid;bis(1H-indole)
CID 162014067
1H-indole;oxalyl dichloride
CID 87707386
carbamic acid;1H-indole
CID 66672708

Frequently Asked Questions

What is the IUPAC name of 1H-indole;oxozinc?
The IUPAC name of 1H-indole;oxozinc (CID 174920230) is 1H-indole;oxozinc.
What is the SMILES notation for 1H-indole;oxozinc?
The canonical SMILES for 1H-indole;oxozinc is O=[Zn].c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;oxozinc?
The InChIKey is PYFITYRCDQGPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.O.Zn/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6,9H;;.
What are the key properties of 1H-indole;oxozinc?
1H-indole;oxozinc has a molecular weight of 198.54 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;oxozinc is sourced from PubChem (CID 174920230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).