(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone

C15H14N2O — CID 577461

IUPAC(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14N2O/c16-13-7-3-2-6-12(13)15(18)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10,16H2
InChIKeyWBIVLKJODIOWTB-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.47
Rot. Bonds1

About (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone

(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 577461) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID577461
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESNc1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C15H14N2O/c16-13-7-3-2-6-12(13)15(18)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10,16H2
InChIKeyWBIVLKJODIOWTB-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.47
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 (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone (CID 577461) is (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone is Nc1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is WBIVLKJODIOWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-13-7-3-2-6-12(13)15(18)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10,16H2.
What are the key properties of (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone?
(2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 577461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).