(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione

C15H13N3O2 — CID 930056

IUPAC(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESC=CCn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h2-6,8-9H,1,7H2,(H2,16,17,19,20)/b12-8+
InChIKeyPRXHZWRDUJRDNS-XYOKQWHBSA-N
MW267.29 g/mol
LogP2.01
Rot. Bonds3

About (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione

(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 930056) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID930056
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESC=CCn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C15H13N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h2-6,8-9H,1,7H2,(H2,16,17,19,20)/b12-8+
InChIKeyPRXHZWRDUJRDNS-XYOKQWHBSA-N
XLogP2.01
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]acetate
CID 6182984
2-[3-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]indol-1-yl]-N-phenylacetamide
CID 2266112
(5Z)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 45138065
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 162786971
(5E)-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 50872323
2-tert-butyl-2-methyl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-dioxane-4,6-dione
CID 1341204
(5E)-1-(2-chlorophenyl)-5-[(1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 126251114
(3E)-5-chloro-3-[(Z)-(1-prop-2-enylindol-3-yl)methylidenehydrazinylidene]-1H-indol-2-one
CID 162395350
5-[[1-[2-(4-fluorophenoxy)ethyl]indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 3142014
1-prop-2-enylindole-3-sulfonyl chloride
CID 82915352
2-morpholin-4-yl-5-[(1-prop-2-enylindol-3-yl)methylidene]-1,3-thiazol-4-one
CID 1497602
methyl 5-[[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398232

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione (CID 930056) is (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione is C=CCn1cc(/C=C2/NC(=O)NC2=O)c2ccccc21.
What is the InChIKey of (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is PRXHZWRDUJRDNS-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-7-18-9-10(11-5-3-4-6-13(11)18)8-12-14(19)17-15(20)16-12/h2-6,8-9H,1,7H2,(H2,16,17,19,20)/b12-8+.
What are the key properties of (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione?
(5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 267.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1-prop-2-enylindol-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 930056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).