2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione

C11H8N2O4 — CID 140663994

IUPAC2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
SMILESO=c1on(Cc2ccc3[nH]ccc3c2)oc1=O
InChIInChI=1S/C11H8N2O4/c14-10-11(15)17-13(16-10)6-7-1-2-9-8(5-7)3-4-12-9/h1-5,12H,6H2
InChIKeyAVHXMRVXTQEZBW-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.92
Rot. Bonds2

About 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione

2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione (PubChem CID 140663994) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione.

Molecular Properties

Compound Name2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
PubChem CID140663994
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
SMILESO=c1on(Cc2ccc3[nH]ccc3c2)oc1=O
InChIInChI=1S/C11H8N2O4/c14-10-11(15)17-13(16-10)6-7-1-2-9-8(5-7)3-4-12-9/h1-5,12H,6H2
InChIKeyAVHXMRVXTQEZBW-UHFFFAOYSA-N
XLogP0.92
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(1H-indol-5-ylmethyl)pyrrolidin-2-one
CID 168688717
1-(1H-indol-5-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671071
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
1H-indol-5-ylmethanesulfonamide;sulfuric acid
CID 67052547
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
CID 17221797

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione?
The IUPAC name of 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione (CID 140663994) is 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione.
What is the SMILES notation for 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione?
The canonical SMILES for 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione is O=c1on(Cc2ccc3[nH]ccc3c2)oc1=O.
What is the InChIKey of 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione?
The InChIKey is AVHXMRVXTQEZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10-11(15)17-13(16-10)6-7-1-2-9-8(5-7)3-4-12-9/h1-5,12H,6H2.
What are the key properties of 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione?
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione has a molecular weight of 232.19 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione is sourced from PubChem (CID 140663994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).