9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

C16H9N5O — CID 73230794

IUPAC9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESC=CCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2
InChIKeyXLOXSIKLUAMDGU-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.16
Rot. Bonds3

About 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (PubChem CID 73230794) has the molecular formula C16H9N5O and a molecular weight of 287.28 g/mol. Its IUPAC name is 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
PubChem CID73230794
Molecular FormulaC16H9N5O
Molecular Weight287.28 g/mol
Exact Mass287.08
IUPAC Name9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
SMILESC=CCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21
InChIInChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2
InChIKeyXLOXSIKLUAMDGU-UHFFFAOYSA-N
XLogP2.16
TPSA94.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile (CID 73230794) is 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is C=CCON=C1c2ccccc2-c2nc(C#N)c(C#N)nc21.
What is the InChIKey of 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is XLOXSIKLUAMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2.
What are the key properties of 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile?
9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 287.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 73230794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).