2-iminoindene-1,3-dione

C9H5NO2 — CID 142147631

IUPAC2-iminoindene-1,3-dione
SMILES[H]N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H5NO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,10H
InChIKeySTUBHPHYKNQKLF-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.08
Rot. Bonds

About 2-iminoindene-1,3-dione

2-iminoindene-1,3-dione (PubChem CID 142147631) has the molecular formula C9H5NO2 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-iminoindene-1,3-dione.

Molecular Properties

Compound Name2-iminoindene-1,3-dione
PubChem CID142147631
Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
Exact Mass159.03
IUPAC Name2-iminoindene-1,3-dione
SMILES[H]N=c1c(=O)c2ccccc2c1=O
InChIInChI=1S/C9H5NO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,10H
InChIKeySTUBHPHYKNQKLF-UHFFFAOYSA-N
XLogP-0.08
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-iminoindene-1,3-dione?
The IUPAC name of 2-iminoindene-1,3-dione (CID 142147631) is 2-iminoindene-1,3-dione.
What is the SMILES notation for 2-iminoindene-1,3-dione?
The canonical SMILES for 2-iminoindene-1,3-dione is [H]N=c1c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-iminoindene-1,3-dione?
The InChIKey is STUBHPHYKNQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO2/c10-7-8(11)5-3-1-2-4-6(5)9(7)12/h1-4,10H.
What are the key properties of 2-iminoindene-1,3-dione?
2-iminoindene-1,3-dione has a molecular weight of 159.14 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminoindene-1,3-dione is sourced from PubChem (CID 142147631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).