(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile

C22H10N4O — CID 5379281

IUPAC(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1/C2=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C22H10N4O/c23-10-16-17(11-24)26-22-20(14-7-3-4-8-15(14)21(22)25-16)19-13-6-2-1-5-12(13)9-18(19)27/h1-8H,9H2/b20-19-
InChIKeyWLGDBJBFCGWIFQ-VXPUYCOJSA-N
MW346.35 g/mol
LogP3.28
Rot. Bonds

About (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile

(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 5379281) has the molecular formula C22H10N4O and a molecular weight of 346.35 g/mol. Its IUPAC name is (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID5379281
Molecular FormulaC22H10N4O
Molecular Weight346.35 g/mol
Exact Mass346.09
IUPAC Name(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(nc1C#N)-c1ccccc1/C2=C1/C(=O)Cc2ccccc21
InChIInChI=1S/C22H10N4O/c23-10-16-17(11-24)26-22-20(14-7-3-4-8-15(14)21(22)25-16)19-13-6-2-1-5-12(13)9-18(19)27/h1-8H,9H2/b20-19-
InChIKeyWLGDBJBFCGWIFQ-VXPUYCOJSA-N
XLogP3.28
TPSA90.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 5379281) is (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(nc1C#N)-c1ccccc1/C2=C1/C(=O)Cc2ccccc21.
What is the InChIKey of (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is WLGDBJBFCGWIFQ-VXPUYCOJSA-N. The full InChI is InChI=1S/C22H10N4O/c23-10-16-17(11-24)26-22-20(14-7-3-4-8-15(14)21(22)25-16)19-13-6-2-1-5-12(13)9-18(19)27/h1-8H,9H2/b20-19-.
What are the key properties of (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile?
(9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 346.35 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-(2-oxo-3H-inden-1-ylidene)indeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 5379281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).