carbanide;cyclopenta-1,3-diene;manganese(3+);acetate

C8H11MnO2 — CID 67831747

IUPACcarbanide;cyclopenta-1,3-diene;manganese(3+);acetate
SMILESCC(=O)[O-].[C-]1=CC=CC1.[CH3-].[Mn+3]
InChIInChI=1S/C5H5.C2H4O2.CH3.Mn/c1-2-4-5-3-1;1-2(3)4;;/h1-3H,4H2;1H3,(H,3,4);1H3;/q-1;;-1;+3/p-1
InChIKeyNVYKOBCMKOFFLV-UHFFFAOYSA-M
MW194.11 g/mol
LogP0.51
Rot. Bonds

About carbanide;cyclopenta-1,3-diene;manganese(3+);acetate

carbanide;cyclopenta-1,3-diene;manganese(3+);acetate (PubChem CID 67831747) has the molecular formula C8H11MnO2 and a molecular weight of 194.11 g/mol. Its IUPAC name is carbanide;cyclopenta-1,3-diene;manganese(3+);acetate.

Molecular Properties

Compound Namecarbanide;cyclopenta-1,3-diene;manganese(3+);acetate
PubChem CID67831747
Molecular FormulaC8H11MnO2
Molecular Weight194.11 g/mol
Exact Mass194.01
IUPAC Namecarbanide;cyclopenta-1,3-diene;manganese(3+);acetate
SMILESCC(=O)[O-].[C-]1=CC=CC1.[CH3-].[Mn+3]
InChIInChI=1S/C5H5.C2H4O2.CH3.Mn/c1-2-4-5-3-1;1-2(3)4;;/h1-3H,4H2;1H3,(H,3,4);1H3;/q-1;;-1;+3/p-1
InChIKeyNVYKOBCMKOFFLV-UHFFFAOYSA-M
XLogP0.51
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopenta-1,3-diene;manganese(3+);acetate?
The IUPAC name of carbanide;cyclopenta-1,3-diene;manganese(3+);acetate (CID 67831747) is carbanide;cyclopenta-1,3-diene;manganese(3+);acetate.
What is the SMILES notation for carbanide;cyclopenta-1,3-diene;manganese(3+);acetate?
The canonical SMILES for carbanide;cyclopenta-1,3-diene;manganese(3+);acetate is CC(=O)[O-].[C-]1=CC=CC1.[CH3-].[Mn+3].
What is the InChIKey of carbanide;cyclopenta-1,3-diene;manganese(3+);acetate?
The InChIKey is NVYKOBCMKOFFLV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5.C2H4O2.CH3.Mn/c1-2-4-5-3-1;1-2(3)4;;/h1-3H,4H2;1H3,(H,3,4);1H3;/q-1;;-1;+3/p-1.
What are the key properties of carbanide;cyclopenta-1,3-diene;manganese(3+);acetate?
carbanide;cyclopenta-1,3-diene;manganese(3+);acetate has a molecular weight of 194.11 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopenta-1,3-diene;manganese(3+);acetate is sourced from PubChem (CID 67831747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).