methane;tetrakis(pyrrole-2,5-dione)

C18H20N4O8 — CID 173442855

IUPACmethane;tetrakis(pyrrole-2,5-dione)
SMILESC.C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/4C4H3NO2.2CH4/c4*6-3-1-2-4(7)5-3;;/h4*1-2H,(H,5,6,7);2*1H4
InChIKeyIRDMANBCWOJBKZ-UHFFFAOYSA-N
MW420.38 g/mol
LogP-1.93
Rot. Bonds

About methane;tetrakis(pyrrole-2,5-dione)

methane;tetrakis(pyrrole-2,5-dione) (PubChem CID 173442855) has the molecular formula C18H20N4O8 and a molecular weight of 420.38 g/mol. Its IUPAC name is methane;tetrakis(pyrrole-2,5-dione).

Molecular Properties

Compound Namemethane;tetrakis(pyrrole-2,5-dione)
PubChem CID173442855
Molecular FormulaC18H20N4O8
Molecular Weight420.38 g/mol
Exact Mass420.13
IUPAC Namemethane;tetrakis(pyrrole-2,5-dione)
SMILESC.C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/4C4H3NO2.2CH4/c4*6-3-1-2-4(7)5-3;;/h4*1-2H,(H,5,6,7);2*1H4
InChIKeyIRDMANBCWOJBKZ-UHFFFAOYSA-N
XLogP-1.93
TPSA184.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

CID 139055194
CID 139055194
Azane;bis(pyrrole-2,5-dione)
CID 19049642
Methane;bis(pyrrole-2,5-dione)
CID 20311204
CID 21271766
CID 21271766
Bis(3-methylpyrrole-2,5-dione);bis(pyrrole-2,5-dione)
CID 66765934
Hexane;bis(pyrrole-2,5-dione)
CID 66958433
Azane;bis(pyrrole-2,5-dione)
CID 67255756
Ethane;bis(pyrrole-2,5-dione)
CID 70577448
Butane;bis(pyrrole-2,5-dione)
CID 90357093
Ethene;bis(pyrrole-2,5-dione)
CID 158772678
Acetamide;pyrrole-2,5-dione
CID 159695137
Propane;bis(pyrrole-2,5-dione)
CID 160815445

Frequently Asked Questions

What is the IUPAC name of methane;tetrakis(pyrrole-2,5-dione)?
The IUPAC name of methane;tetrakis(pyrrole-2,5-dione) (CID 173442855) is methane;tetrakis(pyrrole-2,5-dione).
What is the SMILES notation for methane;tetrakis(pyrrole-2,5-dione)?
The canonical SMILES for methane;tetrakis(pyrrole-2,5-dione) is C.C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of methane;tetrakis(pyrrole-2,5-dione)?
The InChIKey is IRDMANBCWOJBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H3NO2.2CH4/c4*6-3-1-2-4(7)5-3;;/h4*1-2H,(H,5,6,7);2*1H4.
What are the key properties of methane;tetrakis(pyrrole-2,5-dione)?
methane;tetrakis(pyrrole-2,5-dione) has a molecular weight of 420.38 g/mol, XLogP of -1.93, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;tetrakis(pyrrole-2,5-dione) is sourced from PubChem (CID 173442855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).