6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese

C14H15MnNO4 — CID 174657326

IUPAC6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
SMILESO=C(O)CCCCCN1C(=O)c2ccccc2C1=O.[Mn]
InChIInChI=1S/C14H15NO4.Mn/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19;/h3-4,6-7H,1-2,5,8-9H2,(H,16,17);
InChIKeyCYPXPFUZFZVMBU-UHFFFAOYSA-N
MW316.21 g/mol
LogP1.93
Rot. Bonds6

About 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese

6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese (PubChem CID 174657326) has the molecular formula C14H15MnNO4 and a molecular weight of 316.21 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
PubChem CID174657326
Molecular FormulaC14H15MnNO4
Molecular Weight316.21 g/mol
Exact Mass316.04
IUPAC Name6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
SMILESO=C(O)CCCCCN1C(=O)c2ccccc2C1=O.[Mn]
InChIInChI=1S/C14H15NO4.Mn/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19;/h3-4,6-7H,1-2,5,8-9H2,(H,16,17);
InChIKeyCYPXPFUZFZVMBU-UHFFFAOYSA-N
XLogP1.93
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoylamino]hexanoic acid
CID 108889388
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
6-(6-oxobenzo[b][1,4]benzoxazepin-5-yl)hexanoic acid
CID 142782394
N,N-dibenzyl-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 91963142
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
CID 88976080
CID 88976080
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese (CID 174657326) is 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese is O=C(O)CCCCCN1C(=O)c2ccccc2C1=O.[Mn].
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese?
The InChIKey is CYPXPFUZFZVMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4.Mn/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19;/h3-4,6-7H,1-2,5,8-9H2,(H,16,17);.
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese?
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese has a molecular weight of 316.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese is sourced from PubChem (CID 174657326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).