5-prop-2-enylideneimidazolidine-2,4-dione

C6H6N2O2 — CID 87692335

IUPAC5-prop-2-enylideneimidazolidine-2,4-dione
SMILESC=CC=C1NC(=O)NC1=O
InChIInChI=1S/C6H6N2O2/c1-2-3-4-5(9)8-6(10)7-4/h2-3H,1H2,(H2,7,8,9,10)
InChIKeySYNMABHAZBADSM-UHFFFAOYSA-N
MW138.13 g/mol
LogP-0.10
Rot. Bonds1

About 5-prop-2-enylideneimidazolidine-2,4-dione

5-prop-2-enylideneimidazolidine-2,4-dione (PubChem CID 87692335) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is 5-prop-2-enylideneimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-prop-2-enylideneimidazolidine-2,4-dione
PubChem CID87692335
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name5-prop-2-enylideneimidazolidine-2,4-dione
SMILESC=CC=C1NC(=O)NC1=O
InChIInChI=1S/C6H6N2O2/c1-2-3-4-5(9)8-6(10)7-4/h2-3H,1H2,(H2,7,8,9,10)
InChIKeySYNMABHAZBADSM-UHFFFAOYSA-N
XLogP-0.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 5-0.10
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 5-prop-2-enylideneimidazolidine-2,4-dione?
The IUPAC name of 5-prop-2-enylideneimidazolidine-2,4-dione (CID 87692335) is 5-prop-2-enylideneimidazolidine-2,4-dione.
What is the SMILES notation for 5-prop-2-enylideneimidazolidine-2,4-dione?
The canonical SMILES for 5-prop-2-enylideneimidazolidine-2,4-dione is C=CC=C1NC(=O)NC1=O.
What is the InChIKey of 5-prop-2-enylideneimidazolidine-2,4-dione?
The InChIKey is SYNMABHAZBADSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c1-2-3-4-5(9)8-6(10)7-4/h2-3H,1H2,(H2,7,8,9,10).
What are the key properties of 5-prop-2-enylideneimidazolidine-2,4-dione?
5-prop-2-enylideneimidazolidine-2,4-dione has a molecular weight of 138.13 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylideneimidazolidine-2,4-dione is sourced from PubChem (CID 87692335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).