2-(iminomethylidene)indene-1,3-dione

C10H5NO2 — CID 135431394

IUPAC2-(iminomethylidene)indene-1,3-dione
SMILESN=C=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,11H
InChIKeyWUNUBUOLYBKDMP-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.24
Rot. Bonds

About 2-(iminomethylidene)indene-1,3-dione

2-(iminomethylidene)indene-1,3-dione (PubChem CID 135431394) has the molecular formula C10H5NO2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(iminomethylidene)indene-1,3-dione.

Molecular Properties

Compound Name2-(iminomethylidene)indene-1,3-dione
PubChem CID135431394
Molecular FormulaC10H5NO2
Molecular Weight171.16 g/mol
Exact Mass171.03
IUPAC Name2-(iminomethylidene)indene-1,3-dione
SMILESN=C=C1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,11H
InChIKeyWUNUBUOLYBKDMP-UHFFFAOYSA-N
XLogP1.24
TPSA57.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

imino-(10-oxophenanthren-9-ylidene)azanium
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CID 67824005
anthracene-9,10-dione;hydrofluoride
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lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
CID 118898551
CID 118898551
CID 158261979
CID 158261979
sodium;fluoren-9-one;hydride
CID 174594472
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148

Frequently Asked Questions

What is the IUPAC name of 2-(iminomethylidene)indene-1,3-dione?
The IUPAC name of 2-(iminomethylidene)indene-1,3-dione (CID 135431394) is 2-(iminomethylidene)indene-1,3-dione.
What is the SMILES notation for 2-(iminomethylidene)indene-1,3-dione?
The canonical SMILES for 2-(iminomethylidene)indene-1,3-dione is N=C=C1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(iminomethylidene)indene-1,3-dione?
The InChIKey is WUNUBUOLYBKDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,11H.
What are the key properties of 2-(iminomethylidene)indene-1,3-dione?
2-(iminomethylidene)indene-1,3-dione has a molecular weight of 171.16 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iminomethylidene)indene-1,3-dione is sourced from PubChem (CID 135431394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).