(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione

C8H6N2O3 — CID 5370029

IUPAC(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccco2)N1
InChIInChI=1S/C8H6N2O3/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-
InChIKeyNTRZCUHJPUNEDE-XQRVVYSFSA-N
MW178.15 g/mol
LogP0.46
Rot. Bonds1

About (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione

(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione (PubChem CID 5370029) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
PubChem CID5370029
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccco2)N1
InChIInChI=1S/C8H6N2O3/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-
InChIKeyNTRZCUHJPUNEDE-XQRVVYSFSA-N
XLogP0.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.46
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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Related Compounds

5-(Furan-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
CID 3005225
(5E)-1-methyl-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 6289442
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-3-(2-furyl)acrylamide
CID 898057
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(furan-2-yl)prop-2-enamide
CID 2563667
5-(2-Furylmethylene)-3-isobutyl-2-thioxo-4-imidazolidinone
CID 5411557
methyl 2-[(4E)-4-[(5-methylfuran-2-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetate
CID 5883248
N-Carbamoyl-3-(furan-2-yl)prop-2-enamide
CID 44522951
3-Allyl-5-[(5-methyl-2-furyl)methylene]-2,4-imidazolidinedione
CID 900425
3-Ethyl-5-[(5-methyl-2-furyl)methylene]-2,4-imidazolidinedione
CID 1795960
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(furan-2-yl)prop-2-enamide
CID 2526371
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
CID 6393301
5-(2-Furylmethylene)-2-thioxo-4-imidazolidinone
CID 1550469

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione (CID 5370029) is (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccco2)N1.
What is the InChIKey of (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
The InChIKey is NTRZCUHJPUNEDE-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-4H,(H2,9,10,11,12)/b6-4-.
What are the key properties of (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione?
(5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(furan-2-ylmethylidene)imidazolidine-2,4-dione is sourced from PubChem (CID 5370029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).