1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

C17H18N2O — CID 114455761

IUPAC1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3cccc(N)c32)cc1
InChIInChI=1S/C17H18N2O/c1-12-5-7-13(8-6-12)11-16(20)19-10-9-14-3-2-4-15(18)17(14)19/h2-8H,9-11,18H2,1H3
InChIKeyOSSUIMRRPBZKNM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds2

About 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone

1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 114455761) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID114455761
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCc3cccc(N)c32)cc1
InChIInChI=1S/C17H18N2O/c1-12-5-7-13(8-6-12)11-16(20)19-10-9-14-3-2-4-15(18)17(14)19/h2-8H,9-11,18H2,1H3
InChIKeyOSSUIMRRPBZKNM-UHFFFAOYSA-N
XLogP2.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone (CID 114455761) is 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)N2CCc3cccc(N)c32)cc1.
What is the InChIKey of 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is OSSUIMRRPBZKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-5-7-13(8-6-12)11-16(20)19-10-9-14-3-2-4-15(18)17(14)19/h2-8H,9-11,18H2,1H3.
What are the key properties of 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone?
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 114455761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).