ethane;(5E)-5-ethylideneimidazolidine-2,4-dione

C7H12N2O2 — CID 142910966

IUPACethane;(5E)-5-ethylideneimidazolidine-2,4-dione
SMILESC/C=C1/NC(=O)NC1=O.CC
InChIInChI=1S/C5H6N2O2.C2H6/c1-2-3-4(8)7-5(9)6-3;1-2/h2H,1H3,(H2,6,7,8,9);1-2H3/b3-2+;
InChIKeyRKXVRKFDSNYFPD-SQQVDAMQSA-N
MW156.18 g/mol
LogP0.76
Rot. Bonds

About ethane;(5E)-5-ethylideneimidazolidine-2,4-dione

ethane;(5E)-5-ethylideneimidazolidine-2,4-dione (PubChem CID 142910966) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is ethane;(5E)-5-ethylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;(5E)-5-ethylideneimidazolidine-2,4-dione
PubChem CID142910966
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameethane;(5E)-5-ethylideneimidazolidine-2,4-dione
SMILESC/C=C1/NC(=O)NC1=O.CC
InChIInChI=1S/C5H6N2O2.C2H6/c1-2-3-4(8)7-5(9)6-3;1-2/h2H,1H3,(H2,6,7,8,9);1-2H3/b3-2+;
InChIKeyRKXVRKFDSNYFPD-SQQVDAMQSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-ethylideneimidazolidine-2,4-dione?
The IUPAC name of ethane;(5E)-5-ethylideneimidazolidine-2,4-dione (CID 142910966) is ethane;(5E)-5-ethylideneimidazolidine-2,4-dione.
What is the SMILES notation for ethane;(5E)-5-ethylideneimidazolidine-2,4-dione?
The canonical SMILES for ethane;(5E)-5-ethylideneimidazolidine-2,4-dione is C/C=C1/NC(=O)NC1=O.CC.
What is the InChIKey of ethane;(5E)-5-ethylideneimidazolidine-2,4-dione?
The InChIKey is RKXVRKFDSNYFPD-SQQVDAMQSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H6/c1-2-3-4(8)7-5(9)6-3;1-2/h2H,1H3,(H2,6,7,8,9);1-2H3/b3-2+;.
What are the key properties of ethane;(5E)-5-ethylideneimidazolidine-2,4-dione?
ethane;(5E)-5-ethylideneimidazolidine-2,4-dione has a molecular weight of 156.18 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-ethylideneimidazolidine-2,4-dione is sourced from PubChem (CID 142910966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).