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

C9H13NO2Re-2 — CID 58009816

IUPACcarbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
SMILESC[N-]c1c(C(C)C)c(=O)c1=O.[CH3-].[Re]
InChIInChI=1S/C8H11NO2.CH3.Re/c1-4(2)5-6(9-3)8(11)7(5)10;;/h4H,1-3H3,(H,9,10);1H3;/q;-1;/p-1
InChIKeyFAFIBARPDBAUTA-UHFFFAOYSA-M
MW353.42 g/mol
LogP1.49
Rot. Bonds2

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

carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium (PubChem CID 58009816) has the molecular formula C9H13NO2Re-2 and a molecular weight of 353.42 g/mol. Its IUPAC name is carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium.

Molecular Properties

Compound Namecarbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
PubChem CID58009816
Molecular FormulaC9H13NO2Re-2
Molecular Weight353.42 g/mol
Exact Mass354.05
IUPAC Namecarbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium
SMILESC[N-]c1c(C(C)C)c(=O)c1=O.[CH3-].[Re]
InChIInChI=1S/C8H11NO2.CH3.Re/c1-4(2)5-6(9-3)8(11)7(5)10;;/h4H,1-3H3,(H,9,10);1H3;/q;-1;/p-1
InChIKeyFAFIBARPDBAUTA-UHFFFAOYSA-M
XLogP1.49
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The IUPAC name of carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium (CID 58009816) is carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium.
What is the SMILES notation for carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The canonical SMILES for carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium is C[N-]c1c(C(C)C)c(=O)c1=O.[CH3-].[Re].
What is the InChIKey of carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
The InChIKey is FAFIBARPDBAUTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2.CH3.Re/c1-4(2)5-6(9-3)8(11)7(5)10;;/h4H,1-3H3,(H,9,10);1H3;/q;-1;/p-1.
What are the key properties of carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium?
carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium has a molecular weight of 353.42 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3,4-dioxo-2-propan-2-ylcyclobuten-1-yl)-methylazanide;rhenium is sourced from PubChem (CID 58009816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).