2-ethylidene-1,3-dioxoindene-5-carbonitrile

C12H7NO2 — CID 145350850

IUPAC2-ethylidene-1,3-dioxoindene-5-carbonitrile
SMILESCC=C1C(=O)c2ccc(C#N)cc2C1=O
InChIInChI=1S/C12H7NO2/c1-2-8-11(14)9-4-3-7(6-13)5-10(9)12(8)15/h2-5H,1H3
InChIKeyQVYRHZAKQQYXQG-UHFFFAOYSA-N
MW197.19 g/mol
LogP1.88
Rot. Bonds

About 2-ethylidene-1,3-dioxoindene-5-carbonitrile

2-ethylidene-1,3-dioxoindene-5-carbonitrile (PubChem CID 145350850) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-ethylidene-1,3-dioxoindene-5-carbonitrile.

Molecular Properties

Compound Name2-ethylidene-1,3-dioxoindene-5-carbonitrile
PubChem CID145350850
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name2-ethylidene-1,3-dioxoindene-5-carbonitrile
SMILESCC=C1C(=O)c2ccc(C#N)cc2C1=O
InChIInChI=1S/C12H7NO2/c1-2-8-11(14)9-4-3-7(6-13)5-10(9)12(8)15/h2-5H,1H3
InChIKeyQVYRHZAKQQYXQG-UHFFFAOYSA-N
XLogP1.88
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', '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

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CID 149158683
10-oxo-9H-anthracene-2,6-dicarbonitrile
CID 154632317
7-(1-cyano-3-oxoinden-2-yl)-9-oxofluorene-2-carbonitrile
CID 121361810
8-(4-cyanophenyl)-12-[(1,3-dioxoinden-2-ylidene)methyl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4-carbonitrile
CID 138552114
9-(dicyanomethylidene)-20-oxo-11,12-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaene-6,17-dicarbonitrile
CID 142501709
(2Z)-2-[[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7,12-diphenylbenzo[k]fluoranthen-9-yl]methylidene]-1,3-dioxoindene-5-carbonitrile
CID 139447527
(2E,3Z)-2,3-di(ethylidene)inden-1-one;methanamine
CID 142271193
5,7-dinitro-9-oxofluorene-2-carbonitrile
CID 71329076
4-methyl-3-oxo-5H-chromeno[3,4-b]pyridine-9-carbonitrile
CID 167360837
2,2-dimethyl-3-methylidene-4-oxochromene-6-carbonitrile
CID 14517982

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1,3-dioxoindene-5-carbonitrile?
The IUPAC name of 2-ethylidene-1,3-dioxoindene-5-carbonitrile (CID 145350850) is 2-ethylidene-1,3-dioxoindene-5-carbonitrile.
What is the SMILES notation for 2-ethylidene-1,3-dioxoindene-5-carbonitrile?
The canonical SMILES for 2-ethylidene-1,3-dioxoindene-5-carbonitrile is CC=C1C(=O)c2ccc(C#N)cc2C1=O.
What is the InChIKey of 2-ethylidene-1,3-dioxoindene-5-carbonitrile?
The InChIKey is QVYRHZAKQQYXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c1-2-8-11(14)9-4-3-7(6-13)5-10(9)12(8)15/h2-5H,1H3.
What are the key properties of 2-ethylidene-1,3-dioxoindene-5-carbonitrile?
2-ethylidene-1,3-dioxoindene-5-carbonitrile has a molecular weight of 197.19 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1,3-dioxoindene-5-carbonitrile is sourced from PubChem (CID 145350850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).