prop-2-enenitrile;pyrrole-2,5-dione

C7H6N2O2 — CID 19890302

IUPACprop-2-enenitrile;pyrrole-2,5-dione
SMILESC=CC#N.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H3N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2H,1H2
InChIKeyJHLVQVPUILZTNX-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.11
Rot. Bonds

About prop-2-enenitrile;pyrrole-2,5-dione

prop-2-enenitrile;pyrrole-2,5-dione (PubChem CID 19890302) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is prop-2-enenitrile;pyrrole-2,5-dione.

Molecular Properties

Compound Nameprop-2-enenitrile;pyrrole-2,5-dione
PubChem CID19890302
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Nameprop-2-enenitrile;pyrrole-2,5-dione
SMILESC=CC#N.O=C1C=CC(=O)N1
InChIInChI=1S/C4H3NO2.C3H3N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2H,1H2
InChIKeyJHLVQVPUILZTNX-UHFFFAOYSA-N
XLogP-0.11
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enenitrile;pyrrole-2,5-dione?
The IUPAC name of prop-2-enenitrile;pyrrole-2,5-dione (CID 19890302) is prop-2-enenitrile;pyrrole-2,5-dione.
What is the SMILES notation for prop-2-enenitrile;pyrrole-2,5-dione?
The canonical SMILES for prop-2-enenitrile;pyrrole-2,5-dione is C=CC#N.O=C1C=CC(=O)N1.
What is the InChIKey of prop-2-enenitrile;pyrrole-2,5-dione?
The InChIKey is JHLVQVPUILZTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.C3H3N/c6-3-1-2-4(7)5-3;1-2-3-4/h1-2H,(H,5,6,7);2H,1H2.
What are the key properties of prop-2-enenitrile;pyrrole-2,5-dione?
prop-2-enenitrile;pyrrole-2,5-dione has a molecular weight of 150.14 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enenitrile;pyrrole-2,5-dione is sourced from PubChem (CID 19890302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).