ethane;3-methylidenepyrrolidine-2,5-dione

C7H11NO2 — CID 91319284

IUPACethane;3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)NC1=O.CC
InChIInChI=1S/C5H5NO2.C2H6/c1-3-2-4(7)6-5(3)8;1-2/h1-2H2,(H,6,7,8);1-2H3
InChIKeyISIOCVFMKAUIER-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.62
Rot. Bonds

About ethane;3-methylidenepyrrolidine-2,5-dione

ethane;3-methylidenepyrrolidine-2,5-dione (PubChem CID 91319284) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is ethane;3-methylidenepyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;3-methylidenepyrrolidine-2,5-dione
PubChem CID91319284
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameethane;3-methylidenepyrrolidine-2,5-dione
SMILESC=C1CC(=O)NC1=O.CC
InChIInChI=1S/C5H5NO2.C2H6/c1-3-2-4(7)6-5(3)8;1-2/h1-2H2,(H,6,7,8);1-2H3
InChIKeyISIOCVFMKAUIER-UHFFFAOYSA-N
XLogP0.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 22145183
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CID 117796337
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CID 53439587
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CID 129802488
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CID 21718838
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CID 21863913
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CID 22891781
CID 22891781

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylidenepyrrolidine-2,5-dione?
The IUPAC name of ethane;3-methylidenepyrrolidine-2,5-dione (CID 91319284) is ethane;3-methylidenepyrrolidine-2,5-dione.
What is the SMILES notation for ethane;3-methylidenepyrrolidine-2,5-dione?
The canonical SMILES for ethane;3-methylidenepyrrolidine-2,5-dione is C=C1CC(=O)NC1=O.CC.
What is the InChIKey of ethane;3-methylidenepyrrolidine-2,5-dione?
The InChIKey is ISIOCVFMKAUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C2H6/c1-3-2-4(7)6-5(3)8;1-2/h1-2H2,(H,6,7,8);1-2H3.
What are the key properties of ethane;3-methylidenepyrrolidine-2,5-dione?
ethane;3-methylidenepyrrolidine-2,5-dione has a molecular weight of 141.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 91319284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).