(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone

C15H18N2O2 — CID 112526357

IUPAC(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESNc1cccc2c1ccn2C(=O)C1CCC(O)CC1
InChIInChI=1S/C15H18N2O2/c16-13-2-1-3-14-12(13)8-9-17(14)15(19)10-4-6-11(18)7-5-10/h1-3,8-11,18H,4-7,16H2
InChIKeyODWCBCPLLQLINM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds1

About (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone

(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone (PubChem CID 112526357) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone
PubChem CID112526357
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESNc1cccc2c1ccn2C(=O)C1CCC(O)CC1
InChIInChI=1S/C15H18N2O2/c16-13-2-1-3-14-12(13)8-9-17(14)15(19)10-4-6-11(18)7-5-10/h1-3,8-11,18H,4-7,16H2
InChIKeyODWCBCPLLQLINM-UHFFFAOYSA-N
XLogP2.41
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone 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 (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone?
The IUPAC name of (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone (CID 112526357) is (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone is Nc1cccc2c1ccn2C(=O)C1CCC(O)CC1.
What is the InChIKey of (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone?
The InChIKey is ODWCBCPLLQLINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-13-2-1-3-14-12(13)8-9-17(14)15(19)10-4-6-11(18)7-5-10/h1-3,8-11,18H,4-7,16H2.
What are the key properties of (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone?
(4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoindol-1-yl)-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 112526357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).