(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione

C11H10N2O3 — CID 7028616

IUPAC(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\NC(=O)NC2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6-
InChIKeyNQFUGCKNXNBJNF-TWGQIWQCSA-N
MW218.21 g/mol
LogP0.88
Rot. Bonds2

About (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (PubChem CID 7028616) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
PubChem CID7028616
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione
SMILESCOc1cccc(/C=C2\NC(=O)NC2=O)c1
InChIInChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6-
InChIKeyNQFUGCKNXNBJNF-TWGQIWQCSA-N
XLogP0.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione (CID 7028616) is (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is COc1cccc(/C=C2\NC(=O)NC2=O)c1.
What is the InChIKey of (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
The InChIKey is NQFUGCKNXNBJNF-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-8-4-2-3-7(5-8)6-9-10(14)13-11(15)12-9/h2-6H,1H3,(H2,12,13,14,15)/b9-6-.
What are the key properties of (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione has a molecular weight of 218.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxyphenyl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 7028616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).