(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone

C15H14N2O2 — CID 112526900

IUPAC(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone
SMILESCc1coc(C)c1C(=O)n1cc(N)c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-9-8-19-10(2)14(9)15(18)17-7-12(16)11-5-3-4-6-13(11)17/h3-8H,16H2,1-2H3
InChIKeyGSRXDGNMPWELKD-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.12
Rot. Bonds1

About (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone

(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone (PubChem CID 112526900) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone
PubChem CID112526900
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone
SMILESCc1coc(C)c1C(=O)n1cc(N)c2ccccc21
InChIInChI=1S/C15H14N2O2/c1-9-8-19-10(2)14(9)15(18)17-7-12(16)11-5-3-4-6-13(11)17/h3-8H,16H2,1-2H3
InChIKeyGSRXDGNMPWELKD-UHFFFAOYSA-N
XLogP3.12
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone?
The IUPAC name of (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone (CID 112526900) is (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone.
What is the SMILES notation for (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone?
The canonical SMILES for (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone is Cc1coc(C)c1C(=O)n1cc(N)c2ccccc21.
What is the InChIKey of (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone?
The InChIKey is GSRXDGNMPWELKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-8-19-10(2)14(9)15(18)17-7-12(16)11-5-3-4-6-13(11)17/h3-8H,16H2,1-2H3.
What are the key properties of (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone?
(3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindol-1-yl)-(2,4-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 112526900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).