(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone

C16H22N2O — CID 107174724

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C16H22N2O/c1-16(2)8-3-4-13(16)15(19)18-9-7-11-10-12(17)5-6-14(11)18/h5-6,10,13H,3-4,7-9,17H2,1-2H3
InChIKeyKFWRCVCUXDOLJB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.98
Rot. Bonds1

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

(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107174724) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107174724
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)N1CCc2cc(N)ccc21
InChIInChI=1S/C16H22N2O/c1-16(2)8-3-4-13(16)15(19)18-9-7-11-10-12(17)5-6-14(11)18/h5-6,10,13H,3-4,7-9,17H2,1-2H3
InChIKeyKFWRCVCUXDOLJB-UHFFFAOYSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.98
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

(6-amino-2,3-dihydro-1,4-benzothiazin-4-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107174857
(5-amino-2,3-dihydroindol-1-yl)-(oxan-2-yl)methanone
CID 62213133
1-(5-amino-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 28776940
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66394913
(6-amino-2,3-dihydroindol-1-yl)-(thian-2-yl)methanone
CID 80594399
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 79750528
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107181080
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499
1-(5-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone;ethane
CID 144637224
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 53080907

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107174724) is (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)N1CCc2cc(N)ccc21.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is KFWRCVCUXDOLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2)8-3-4-13(16)15(19)18-9-7-11-10-12(17)5-6-14(11)18/h5-6,10,13H,3-4,7-9,17H2,1-2H3.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107174724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).