5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one

C14H16N2O2 — CID 117039664

IUPAC5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2C1CCC(=O)CC1
InChIInChI=1S/C14H16N2O2/c15-10-1-6-13-9(7-10)8-14(18)16(13)11-2-4-12(17)5-3-11/h1,6-7,11H,2-5,8,15H2
InChIKeyLBLDYIDJTZIGKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.67
Rot. Bonds1

About 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one

5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one (PubChem CID 117039664) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
PubChem CID117039664
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2C1CCC(=O)CC1
InChIInChI=1S/C14H16N2O2/c15-10-1-6-13-9(7-10)8-14(18)16(13)11-2-4-12(17)5-3-11/h1,6-7,11H,2-5,8,15H2
InChIKeyLBLDYIDJTZIGKK-UHFFFAOYSA-N
XLogP1.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one 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 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one (CID 117039664) is 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one is Nc1ccc2c(c1)CC(=O)N2C1CCC(=O)CC1.
What is the InChIKey of 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one?
The InChIKey is LBLDYIDJTZIGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-1-6-13-9(7-10)8-14(18)16(13)11-2-4-12(17)5-3-11/h1,6-7,11H,2-5,8,15H2.
What are the key properties of 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one?
5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-oxocyclohexyl)-3H-indol-2-one is sourced from PubChem (CID 117039664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).