dioxomanganese;pyrrol-1-ide

C4H4MnNO2- — CID 67831635

IUPACdioxomanganese;pyrrol-1-ide
SMILESO=[Mn]=O.c1cc[n-]c1
InChIInChI=1S/C4H4N.Mn.2O/c1-2-4-5-3-1;;;/h1-4H;;;/q-1;;;
InChIKeyLDRSVJPGBIFLDO-UHFFFAOYSA-N
MW153.02 g/mol
LogP0.40
Rot. Bonds

About dioxomanganese;pyrrol-1-ide

dioxomanganese;pyrrol-1-ide (PubChem CID 67831635) has the molecular formula C4H4MnNO2- and a molecular weight of 153.02 g/mol. Its IUPAC name is dioxomanganese;pyrrol-1-ide.

Molecular Properties

Compound Namedioxomanganese;pyrrol-1-ide
PubChem CID67831635
Molecular FormulaC4H4MnNO2-
Molecular Weight153.02 g/mol
Exact Mass152.96
IUPAC Namedioxomanganese;pyrrol-1-ide
SMILESO=[Mn]=O.c1cc[n-]c1
InChIInChI=1S/C4H4N.Mn.2O/c1-2-4-5-3-1;;;/h1-4H;;;/q-1;;;
InChIKeyLDRSVJPGBIFLDO-UHFFFAOYSA-N
XLogP0.40
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.02
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dioxomanganese;pyrrol-1-ide?
The IUPAC name of dioxomanganese;pyrrol-1-ide (CID 67831635) is dioxomanganese;pyrrol-1-ide.
What is the SMILES notation for dioxomanganese;pyrrol-1-ide?
The canonical SMILES for dioxomanganese;pyrrol-1-ide is O=[Mn]=O.c1cc[n-]c1.
What is the InChIKey of dioxomanganese;pyrrol-1-ide?
The InChIKey is LDRSVJPGBIFLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.Mn.2O/c1-2-4-5-3-1;;;/h1-4H;;;/q-1;;;.
What are the key properties of dioxomanganese;pyrrol-1-ide?
dioxomanganese;pyrrol-1-ide has a molecular weight of 153.02 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomanganese;pyrrol-1-ide is sourced from PubChem (CID 67831635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).