7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione

C9H6INO2 — CID 89044421

IUPAC7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione
SMILESNc1cccc2c1C(=O)C=IC2=O
InChIInChI=1S/C9H6INO2/c11-6-3-1-2-5-8(6)7(12)4-10-9(5)13/h1-4H,11H2
InChIKeyBVWQZDBRKVYOHO-UHFFFAOYSA-N
MW287.06 g/mol
LogP1.38
Rot. Bonds

About 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione

7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione (PubChem CID 89044421) has the molecular formula C9H6INO2 and a molecular weight of 287.06 g/mol. Its IUPAC name is 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione.

Molecular Properties

Compound Name7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione
PubChem CID89044421
Molecular FormulaC9H6INO2
Molecular Weight287.06 g/mol
Exact Mass286.94
IUPAC Name7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione
SMILESNc1cccc2c1C(=O)C=IC2=O
InChIInChI=1S/C9H6INO2/c11-6-3-1-2-5-8(6)7(12)4-10-9(5)13/h1-4H,11H2
InChIKeyBVWQZDBRKVYOHO-UHFFFAOYSA-N
XLogP1.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione?
The IUPAC name of 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione (CID 89044421) is 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione.
What is the SMILES notation for 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione?
The canonical SMILES for 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione is Nc1cccc2c1C(=O)C=IC2=O.
What is the InChIKey of 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione?
The InChIKey is BVWQZDBRKVYOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6INO2/c11-6-3-1-2-5-8(6)7(12)4-10-9(5)13/h1-4H,11H2.
What are the key properties of 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione?
7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione has a molecular weight of 287.06 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3λ3-iodabicyclo[4.4.0]deca-1(6),3,7,9-tetraene-2,5-dione is sourced from PubChem (CID 89044421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).