2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile

C15H9N5O2 — CID 42648077

IUPAC2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
SMILESCN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)N=C(N)C12C#N
InChIInChI=1S/C15H9N5O2/c1-20-9-5-3-2-4-8(9)15(12(20)22)13(6-16)10(18)19-11(21)14(13,15)7-17/h2-5H,1H3,(H2,18,19,21)
InChIKeyJZGSTRWUQIDVJV-UHFFFAOYSA-N
MW291.27 g/mol
LogP-0.17
Rot. Bonds

About 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile

2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile (PubChem CID 42648077) has the molecular formula C15H9N5O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
PubChem CID42648077
Molecular FormulaC15H9N5O2
Molecular Weight291.27 g/mol
Exact Mass291.08
IUPAC Name2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile
SMILESCN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)N=C(N)C12C#N
InChIInChI=1S/C15H9N5O2/c1-20-9-5-3-2-4-8(9)15(12(20)22)13(6-16)10(18)19-11(21)14(13,15)7-17/h2-5H,1H3,(H2,18,19,21)
InChIKeyJZGSTRWUQIDVJV-UHFFFAOYSA-N
XLogP-0.17
TPSA123.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile?
The IUPAC name of 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile (CID 42648077) is 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile.
What is the SMILES notation for 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile?
The canonical SMILES for 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile is CN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)N=C(N)C12C#N.
What is the InChIKey of 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile?
The InChIKey is JZGSTRWUQIDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O2/c1-20-9-5-3-2-4-8(9)15(12(20)22)13(6-16)10(18)19-11(21)14(13,15)7-17/h2-5H,1H3,(H2,18,19,21).
What are the key properties of 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile?
2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile has a molecular weight of 291.27 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-methyl-2',4-dioxospiro[3-azabicyclo[3.1.0]hex-2-ene-6,3'-indole]-1,5-dicarbonitrile is sourced from PubChem (CID 42648077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).