ethene;pyrrolidine-2,3-dione

C6H9NO2 — CID 174546175

IUPACethene;pyrrolidine-2,3-dione
SMILESC=C.O=C1CCNC1=O
InChIInChI=1S/C4H5NO2.C2H4/c6-3-1-2-5-4(3)7;1-2/h1-2H2,(H,5,7);1-2H2
InChIKeyMSIGULYADCQFRU-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.12
Rot. Bonds

About ethene;pyrrolidine-2,3-dione

ethene;pyrrolidine-2,3-dione (PubChem CID 174546175) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is ethene;pyrrolidine-2,3-dione.

Molecular Properties

Compound Nameethene;pyrrolidine-2,3-dione
PubChem CID174546175
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Nameethene;pyrrolidine-2,3-dione
SMILESC=C.O=C1CCNC1=O
InChIInChI=1S/C4H5NO2.C2H4/c6-3-1-2-5-4(3)7;1-2/h1-2H2,(H,5,7);1-2H2
InChIKeyMSIGULYADCQFRU-UHFFFAOYSA-N
XLogP-0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;pyrrolidine-2,3-dione?
The IUPAC name of ethene;pyrrolidine-2,3-dione (CID 174546175) is ethene;pyrrolidine-2,3-dione.
What is the SMILES notation for ethene;pyrrolidine-2,3-dione?
The canonical SMILES for ethene;pyrrolidine-2,3-dione is C=C.O=C1CCNC1=O.
What is the InChIKey of ethene;pyrrolidine-2,3-dione?
The InChIKey is MSIGULYADCQFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C2H4/c6-3-1-2-5-4(3)7;1-2/h1-2H2,(H,5,7);1-2H2.
What are the key properties of ethene;pyrrolidine-2,3-dione?
ethene;pyrrolidine-2,3-dione has a molecular weight of 127.14 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pyrrolidine-2,3-dione is sourced from PubChem (CID 174546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).