1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

C17H19N3O3 — CID 24820792

IUPAC1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CCCCC1)c1ccccc12
InChIInChI=1S/C17H19N3O3/c21-14-17(19-16(23)18-14)12-8-4-5-9-13(12)20(15(17)22)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,21,23)
InChIKeyPKAOQHONGIBSMO-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.65
Rot. Bonds2

About 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione

1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (PubChem CID 24820792) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.

Molecular Properties

Compound Name1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
PubChem CID24820792
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione
SMILESO=C1NC(=O)C2(N1)C(=O)N(CC1CCCCC1)c1ccccc12
InChIInChI=1S/C17H19N3O3/c21-14-17(19-16(23)18-14)12-8-4-5-9-13(12)20(15(17)22)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,21,23)
InChIKeyPKAOQHONGIBSMO-UHFFFAOYSA-N
XLogP1.65
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The IUPAC name of 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione (CID 24820792) is 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione.
What is the SMILES notation for 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The canonical SMILES for 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is O=C1NC(=O)C2(N1)C(=O)N(CC1CCCCC1)c1ccccc12.
What is the InChIKey of 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
The InChIKey is PKAOQHONGIBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-14-17(19-16(23)18-14)12-8-4-5-9-13(12)20(15(17)22)10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,21,23).
What are the key properties of 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione?
1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione has a molecular weight of 313.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclohexylmethyl)spiro[imidazolidine-5,3'-indole]-2,2',4-trione is sourced from PubChem (CID 24820792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).