(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

C18H16N2O — CID 112527022

IUPAC(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESNc1cn(C(=O)C2Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C18H16N2O/c19-16-11-20(17-8-4-3-7-15(16)17)18(21)14-9-12-5-1-2-6-13(12)10-14/h1-8,11,14H,9-10,19H2
InChIKeyBYGMSLQRESYLKB-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.28
Rot. Bonds1

About (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone

(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 112527022) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID112527022
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESNc1cn(C(=O)C2Cc3ccccc3C2)c2ccccc12
InChIInChI=1S/C18H16N2O/c19-16-11-20(17-8-4-3-7-15(16)17)18(21)14-9-12-5-1-2-6-13(12)10-14/h1-8,11,14H,9-10,19H2
InChIKeyBYGMSLQRESYLKB-UHFFFAOYSA-N
XLogP3.28
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 112527022) is (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is Nc1cn(C(=O)C2Cc3ccccc3C2)c2ccccc12.
What is the InChIKey of (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is BYGMSLQRESYLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-16-11-20(17-8-4-3-7-15(16)17)18(21)14-9-12-5-1-2-6-13(12)10-14/h1-8,11,14H,9-10,19H2.
What are the key properties of (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 112527022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).