(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium

C8H10NO2Re- — CID 58009857

IUPAC(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
SMILESC[N-]c1c(C(C)C)c(=O)c1=O.[Re]
InChIInChI=1S/C8H11NO2.Re/c1-4(2)5-6(9-3)8(11)7(5)10;/h4H,1-3H3,(H,9,10);/p-1
InChIKeyZMFZBWPDCNMLIJ-UHFFFAOYSA-M
MW338.38 g/mol
LogP1.04
Rot. Bonds2

About (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium

(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium (PubChem CID 58009857) has the molecular formula C8H10NO2Re- and a molecular weight of 338.38 g/mol. Its IUPAC name is (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium.

Molecular Properties

Compound Name(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
PubChem CID58009857
Molecular FormulaC8H10NO2Re-
Molecular Weight338.38 g/mol
Exact Mass339.03
IUPAC Name(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
SMILESC[N-]c1c(C(C)C)c(=O)c1=O.[Re]
InChIInChI=1S/C8H11NO2.Re/c1-4(2)5-6(9-3)8(11)7(5)10;/h4H,1-3H3,(H,9,10);/p-1
InChIKeyZMFZBWPDCNMLIJ-UHFFFAOYSA-M
XLogP1.04
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The IUPAC name of (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium (CID 58009857) is (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium.
What is the SMILES notation for (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The canonical SMILES for (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium is C[N-]c1c(C(C)C)c(=O)c1=O.[Re].
What is the InChIKey of (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The InChIKey is ZMFZBWPDCNMLIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2.Re/c1-4(2)5-6(9-3)8(11)7(5)10;/h4H,1-3H3,(H,9,10);/p-1.
What are the key properties of (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium has a molecular weight of 338.38 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium is sourced from PubChem (CID 58009857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).