(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione

C9H9N3O2 — CID 50853485

IUPAC(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCn1ccc(/C=C2\NC(=O)NC2=O)c1
InChIInChI=1S/C9H9N3O2/c1-12-3-2-6(5-12)4-7-8(13)11-9(14)10-7/h2-5H,1H3,(H2,10,11,13,14)/b7-4-
InChIKeyDFOGCVKBHURUJS-DAXSKMNVSA-N
MW191.19 g/mol
LogP0.21
Rot. Bonds1

About (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione

(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 50853485) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID50853485
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCn1ccc(/C=C2\NC(=O)NC2=O)c1
InChIInChI=1S/C9H9N3O2/c1-12-3-2-6(5-12)4-7-8(13)11-9(14)10-7/h2-5H,1H3,(H2,10,11,13,14)/b7-4-
InChIKeyDFOGCVKBHURUJS-DAXSKMNVSA-N
XLogP0.21
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.21
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

(5E)-5-[(1-methylpyrazol-4-yl)methylidene]imidazolidine-2,4-dione
CID 17024892
(5E)-5-benzylideneimidazolidine-2,4-dione;ethane
CID 91247316
(5Z)-5-[(4-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 697033
(5E)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 727382
(5E)-5-[(4-aminophenyl)methylidene]imidazolidine-2,4-dione
CID 18345973
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 745258
5-[(1-methylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 154061590
5-[[4-(diethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3930330
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 2189796
N-[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]acetamide
CID 6378980
ethane;1-methylpyrrole-3-carbaldehyde
CID 159353582
5-(pyridin-3-ylmethylidene)imidazolidine-2,4-dione
CID 4532937

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione (CID 50853485) is (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione is Cn1ccc(/C=C2\NC(=O)NC2=O)c1.
What is the InChIKey of (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is DFOGCVKBHURUJS-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-12-3-2-6(5-12)4-7-8(13)11-9(14)10-7/h2-5H,1H3,(H2,10,11,13,14)/b7-4-.
What are the key properties of (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione?
(5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 191.19 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-methylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 50853485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).