carbonic acid;pyrrole-2,5-dione

C5H5NO5 — CID 22338787

IUPACcarbonic acid;pyrrole-2,5-dione
SMILESO=C(O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2O3/c6-3-1-2-4(7)5-3;2-1(3)4/h1-2H,(H,5,6,7);(H2,2,3,4)
InChIKeyMCYAHDIGDPUDMA-UHFFFAOYSA-N
MW159.10 g/mol
LogP-0.58
Rot. Bonds

About carbonic acid;pyrrole-2,5-dione

carbonic acid;pyrrole-2,5-dione (PubChem CID 22338787) has the molecular formula C5H5NO5 and a molecular weight of 159.10 g/mol. Its IUPAC name is carbonic acid;pyrrole-2,5-dione.

Molecular Properties

Compound Namecarbonic acid;pyrrole-2,5-dione
PubChem CID22338787
Molecular FormulaC5H5NO5
Molecular Weight159.10 g/mol
Exact Mass159.02
IUPAC Namecarbonic acid;pyrrole-2,5-dione
SMILESO=C(O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.CH2O3/c6-3-1-2-4(7)5-3;2-1(3)4/h1-2H,(H,5,6,7);(H2,2,3,4)
InChIKeyMCYAHDIGDPUDMA-UHFFFAOYSA-N
XLogP-0.58
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Maleimide
CID 10935
Prop-2-enoylcarbamic acid
CID 21707751
Maleimidepropionic acid
CID 21868966
But-2-enoylcarbamic acid
CID 73743327
Maleimide-water
CID 129656466
(1-~2~H)-1H-Pyrrole-2,5-dione
CID 13000228
Pyrrole-2,5-dione;2,2,2-trifluoroacetic acid
CID 22356478
Pyrrole-2,5-dione;hydrochloride
CID 18790454
(E)-but-2-enedioic acid;pyrrole-2,5-dione
CID 19759974
Hydron;pyrrole-2,5-dione
CID 19973391
Ethene;pyrrole-2,5-dione
CID 20089621
[(E)-but-2-enoyl]carbamic acid
CID 21113509

Frequently Asked Questions

What is the IUPAC name of carbonic acid;pyrrole-2,5-dione?
The IUPAC name of carbonic acid;pyrrole-2,5-dione (CID 22338787) is carbonic acid;pyrrole-2,5-dione.
What is the SMILES notation for carbonic acid;pyrrole-2,5-dione?
The canonical SMILES for carbonic acid;pyrrole-2,5-dione is O=C(O)O.O=C1C=CC(=O)N1.
What is the InChIKey of carbonic acid;pyrrole-2,5-dione?
The InChIKey is MCYAHDIGDPUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.CH2O3/c6-3-1-2-4(7)5-3;2-1(3)4/h1-2H,(H,5,6,7);(H2,2,3,4).
What are the key properties of carbonic acid;pyrrole-2,5-dione?
carbonic acid;pyrrole-2,5-dione has a molecular weight of 159.10 g/mol, XLogP of -0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;pyrrole-2,5-dione is sourced from PubChem (CID 22338787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).