(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

C17H16N2O — CID 66394913

IUPAC(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H16N2O/c18-13-5-6-16-12(9-13)7-8-19(16)17(20)15-10-11-3-1-2-4-14(11)15/h1-6,9,15H,7-8,10,18H2
InChIKeyJOVXARIMOBSPHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.50
Rot. Bonds1

About (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone

(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (PubChem CID 66394913) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.

Molecular Properties

Compound Name(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
PubChem CID66394913
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
SMILESNc1ccc2c(c1)CCN2C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H16N2O/c18-13-5-6-16-12(9-13)7-8-19(16)17(20)15-10-11-3-1-2-4-14(11)15/h1-6,9,15H,7-8,10,18H2
InChIKeyJOVXARIMOBSPHK-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.50
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 (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The IUPAC name of (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone (CID 66394913) is (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone.
What is the SMILES notation for (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The canonical SMILES for (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is Nc1ccc2c(c1)CCN2C(=O)C1Cc2ccccc21.
What is the InChIKey of (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
The InChIKey is JOVXARIMOBSPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c18-13-5-6-16-12(9-13)7-8-19(16)17(20)15-10-11-3-1-2-4-14(11)15/h1-6,9,15H,7-8,10,18H2.
What are the key properties of (5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone?
(5-amino-2,3-dihydroindol-1-yl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone has a molecular weight of 264.33 g/mol, XLogP of 2.50, 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)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone is sourced from PubChem (CID 66394913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).