2-stannyl-3H-isoindol-1-one

C8H9NOSn — CID 151195244

IUPAC2-stannyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1[SnH3]
InChIInChI=1S/C8H7NO.Sn.3H/c10-8-7-4-2-1-3-6(7)5-9-8;;;;/h1-4H,5H2,(H,9,10);;;;/q;+1;;;/p-1
InChIKeyNHDVKOXDCJVTJA-UHFFFAOYSA-M
MW253.88 g/mol
LogP-0.08
Rot. Bonds

About 2-stannyl-3H-isoindol-1-one

2-stannyl-3H-isoindol-1-one (PubChem CID 151195244) has the molecular formula C8H9NOSn and a molecular weight of 253.88 g/mol. Its IUPAC name is 2-stannyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-stannyl-3H-isoindol-1-one
PubChem CID151195244
Molecular FormulaC8H9NOSn
Molecular Weight253.88 g/mol
Exact Mass254.97
IUPAC Name2-stannyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1[SnH3]
InChIInChI=1S/C8H7NO.Sn.3H/c10-8-7-4-2-1-3-6(7)5-9-8;;;;/h1-4H,5H2,(H,9,10);;;;/q;+1;;;/p-1
InChIKeyNHDVKOXDCJVTJA-UHFFFAOYSA-M
XLogP-0.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.88
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-3H-isoindol-1-one
CID 86611253
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-prop-1-enyl-3H-isoindol-1-one
CID 172846777
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 168517450
2-propan-2-yloxy-3H-isoindol-1-one
CID 89303277
2-(2-aminoethyl)-3H-isoindol-1-one;hydrobromide
CID 75485475
2-amino-3H-isoindol-1-one;prop-1-ene
CID 177026284
2-(4-methylphenyl)-3H-isoindol-1-one
CID 2836108
CID 167712207
CID 167712207
3-hydroxy-2,4-dihydrophthalazin-1-one
CID 68998487

Frequently Asked Questions

What is the IUPAC name of 2-stannyl-3H-isoindol-1-one?
The IUPAC name of 2-stannyl-3H-isoindol-1-one (CID 151195244) is 2-stannyl-3H-isoindol-1-one.
What is the SMILES notation for 2-stannyl-3H-isoindol-1-one?
The canonical SMILES for 2-stannyl-3H-isoindol-1-one is O=C1c2ccccc2CN1[SnH3].
What is the InChIKey of 2-stannyl-3H-isoindol-1-one?
The InChIKey is NHDVKOXDCJVTJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NO.Sn.3H/c10-8-7-4-2-1-3-6(7)5-9-8;;;;/h1-4H,5H2,(H,9,10);;;;/q;+1;;;/p-1.
What are the key properties of 2-stannyl-3H-isoindol-1-one?
2-stannyl-3H-isoindol-1-one has a molecular weight of 253.88 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-stannyl-3H-isoindol-1-one is sourced from PubChem (CID 151195244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).