(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile

C19H12ClN3O3 — CID 25098645

IUPAC(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile
SMILESCN1C(=O)[C@@]2(O[C@H](c3ccc(Cl)cc3)OC2(C#N)C#N)c2ccccc21
InChIInChI=1S/C19H12ClN3O3/c1-23-15-5-3-2-4-14(15)19(17(23)24)18(10-21,11-22)25-16(26-19)12-6-8-13(20)9-7-12/h2-9,16H,1H3/t16-,19+/m1/s1
InChIKeyULUOSGXYPJCJSF-APWZRJJASA-N
MW365.78 g/mol
LogP3.04
Rot. Bonds1

About (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile

(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile (PubChem CID 25098645) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile.

Molecular Properties

Compound Name(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile
PubChem CID25098645
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC Name(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile
SMILESCN1C(=O)[C@@]2(O[C@H](c3ccc(Cl)cc3)OC2(C#N)C#N)c2ccccc21
InChIInChI=1S/C19H12ClN3O3/c1-23-15-5-3-2-4-14(15)19(17(23)24)18(10-21,11-22)25-16(26-19)12-6-8-13(20)9-7-12/h2-9,16H,1H3/t16-,19+/m1/s1
InChIKeyULUOSGXYPJCJSF-APWZRJJASA-N
XLogP3.04
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile?
The IUPAC name of (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile (CID 25098645) is (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile.
What is the SMILES notation for (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile?
The canonical SMILES for (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile is CN1C(=O)[C@@]2(O[C@H](c3ccc(Cl)cc3)OC2(C#N)C#N)c2ccccc21.
What is the InChIKey of (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile?
The InChIKey is ULUOSGXYPJCJSF-APWZRJJASA-N. The full InChI is InChI=1S/C19H12ClN3O3/c1-23-15-5-3-2-4-14(15)19(17(23)24)18(10-21,11-22)25-16(26-19)12-6-8-13(20)9-7-12/h2-9,16H,1H3/t16-,19+/m1/s1.
What are the key properties of (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile?
(2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile has a molecular weight of 365.78 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-chlorophenyl)-1'-methyl-2'-oxospiro[1,3-dioxolane-5,3'-indole]-4,4-dicarbonitrile is sourced from PubChem (CID 25098645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).