manganese;pentan-1-one

C5H9MnO- — CID 88818805

IUPACmanganese;pentan-1-one
SMILESCCCC[C-]=O.[Mn]
InChIInChI=1S/C5H9O.Mn/c1-2-3-4-5-6;/h2-4H2,1H3;/q-1;
InChIKeyMKTJNODOMJATCB-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.28
Rot. Bonds3

About manganese;pentan-1-one

manganese;pentan-1-one (PubChem CID 88818805) has the molecular formula C5H9MnO- and a molecular weight of 140.06 g/mol. Its IUPAC name is manganese;pentan-1-one.

Molecular Properties

Compound Namemanganese;pentan-1-one
PubChem CID88818805
Molecular FormulaC5H9MnO-
Molecular Weight140.06 g/mol
Exact Mass140.00
IUPAC Namemanganese;pentan-1-one
SMILESCCCC[C-]=O.[Mn]
InChIInChI=1S/C5H9O.Mn/c1-2-3-4-5-6;/h2-4H2,1H3;/q-1;
InChIKeyMKTJNODOMJATCB-UHFFFAOYSA-N
XLogP1.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze manganese;pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decan-1-one;rhenium
CID 88777859
tridecan-1-one;zirconium(4+);trichloride
CID 159832602
potassium;octadecan-1-one;hydroxide
CID 154614653
tetrakis(butan-1-one);zirconium(4+)
CID 87573638
sodium;hexadecane;octadecan-1-one;sulfuric acid
CID 160734038
sodium;dodecan-1-one;propanoic acid
CID 174896137
butan-1-one;carbanide;manganese;methanone;phosphane
CID 164671894
butan-1-one;pentan-1-ol;zinc
CID 174566497
bis(octadecanoic acid);octadecan-1-one;oxotitanium(2+);propane
CID 87072788
potassium;2-aminobutanedioic acid;hexan-1-one
CID 174919168
sodium;hexacosane-1,15-dione;2-hydroxypropanoic acid
CID 158179904
sodium;dodecan-1-one;2-(methylamino)ethanesulfonic acid
CID 159803760

Frequently Asked Questions

What is the IUPAC name of manganese;pentan-1-one?
The IUPAC name of manganese;pentan-1-one (CID 88818805) is manganese;pentan-1-one.
What is the SMILES notation for manganese;pentan-1-one?
The canonical SMILES for manganese;pentan-1-one is CCCC[C-]=O.[Mn].
What is the InChIKey of manganese;pentan-1-one?
The InChIKey is MKTJNODOMJATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.Mn/c1-2-3-4-5-6;/h2-4H2,1H3;/q-1;.
What are the key properties of manganese;pentan-1-one?
manganese;pentan-1-one has a molecular weight of 140.06 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for manganese;pentan-1-one is sourced from PubChem (CID 88818805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).