1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone

C16H22N2O — CID 28776940

IUPAC1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
SMILESNc1ccc2c(c1)CCN2C(=O)CC1CCCCC1
InChIInChI=1S/C16H22N2O/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10,17H2
InChIKeyPGMLPQXAGHGVDB-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.13
Rot. Bonds2

About 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone

1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone (PubChem CID 28776940) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
PubChem CID28776940
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
SMILESNc1ccc2c(c1)CCN2C(=O)CC1CCCCC1
InChIInChI=1S/C16H22N2O/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10,17H2
InChIKeyPGMLPQXAGHGVDB-UHFFFAOYSA-N
XLogP3.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(2-cyclopentylacetyl)-2,3-dihydroindole-5-carboxylic acid
CID 45349399
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103161498
1-(5-amino-2,3-dihydroindol-1-yl)-3-(oxan-2-yl)propan-1-one
CID 63952299
1-(5-amino-2,3-dihydroindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 90209639
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclohexylethanone
CID 82707005
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107174724
1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The IUPAC name of 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone (CID 28776940) is 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The canonical SMILES for 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone is Nc1ccc2c(c1)CCN2C(=O)CC1CCCCC1.
What is the InChIKey of 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The InChIKey is PGMLPQXAGHGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-14-6-7-15-13(11-14)8-9-18(15)16(19)10-12-4-2-1-3-5-12/h6-7,11-12H,1-5,8-10,17H2.
What are the key properties of 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone has a molecular weight of 258.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone is sourced from PubChem (CID 28776940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).