1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione

C19H15N3O4 — CID 138115653

IUPAC1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione
SMILESO=C1NC2(O)C(=O)c3ccccc3C2(O)N1N=CC=Cc1ccccc1
InChIInChI=1S/C19H15N3O4/c23-16-14-10-4-5-11-15(14)19(26)18(16,25)21-17(24)22(19)20-12-6-9-13-7-2-1-3-8-13/h1-12,25-26H,(H,21,24)
InChIKeyXNVUQXAUACILFY-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.44
Rot. Bonds3

About 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione

1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione (PubChem CID 138115653) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione.

Molecular Properties

Compound Name1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione
PubChem CID138115653
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione
SMILESO=C1NC2(O)C(=O)c3ccccc3C2(O)N1N=CC=Cc1ccccc1
InChIInChI=1S/C19H15N3O4/c23-16-14-10-4-5-11-15(14)19(26)18(16,25)21-17(24)22(19)20-12-6-9-13-7-2-1-3-8-13/h1-12,25-26H,(H,21,24)
InChIKeyXNVUQXAUACILFY-UHFFFAOYSA-N
XLogP1.44
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione?
The IUPAC name of 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione (CID 138115653) is 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione.
What is the SMILES notation for 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione?
The canonical SMILES for 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione is O=C1NC2(O)C(=O)c3ccccc3C2(O)N1N=CC=Cc1ccccc1.
What is the InChIKey of 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione?
The InChIKey is XNVUQXAUACILFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-16-14-10-4-5-11-15(14)19(26)18(16,25)21-17(24)22(19)20-12-6-9-13-7-2-1-3-8-13/h1-12,25-26H,(H,21,24).
What are the key properties of 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione?
1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione has a molecular weight of 349.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cinnamylideneamino)-3a,8b-dihydroxy-3H-indeno[1,2-d]imidazole-2,4-dione is sourced from PubChem (CID 138115653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).