2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone

C13H11N3O — CID 110466813

IUPAC2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)N1CCc2ccccc21
InChIInChI=1S/C13H11N3O/c17-13(11-7-14-9-15-8-11)16-6-5-10-3-1-2-4-12(10)16/h1-4,7-9H,5-6H2
InChIKeySKUYKPRFJIUWEL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.68
Rot. Bonds1

About 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone

2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone (PubChem CID 110466813) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone
PubChem CID110466813
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)N1CCc2ccccc21
InChIInChI=1S/C13H11N3O/c17-13(11-7-14-9-15-8-11)16-6-5-10-3-1-2-4-12(10)16/h1-4,7-9H,5-6H2
InChIKeySKUYKPRFJIUWEL-UHFFFAOYSA-N
XLogP1.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone (CID 110466813) is 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone is O=C(c1cncnc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone?
The InChIKey is SKUYKPRFJIUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-13(11-7-14-9-15-8-11)16-6-5-10-3-1-2-4-12(10)16/h1-4,7-9H,5-6H2.
What are the key properties of 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone?
2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone has a molecular weight of 225.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(pyrimidin-5-yl)methanone is sourced from PubChem (CID 110466813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).