1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone

C17H15N3O — CID 5308084

IUPAC1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O/c21-17(19-10-9-13-5-1-3-7-15(13)19)12-20-16-8-4-2-6-14(16)11-18-20/h1-8,11H,9-10,12H2
InChIKeyGVKMPJSPLNJEAQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.63
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone

1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone (PubChem CID 5308084) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone
PubChem CID5308084
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C17H15N3O/c21-17(19-10-9-13-5-1-3-7-15(13)19)12-20-16-8-4-2-6-14(16)11-18-20/h1-8,11H,9-10,12H2
InChIKeyGVKMPJSPLNJEAQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone (CID 5308084) is 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone?
The InChIKey is GVKMPJSPLNJEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(19-10-9-13-5-1-3-7-15(13)19)12-20-16-8-4-2-6-14(16)11-18-20/h1-8,11H,9-10,12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone?
1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone has a molecular weight of 277.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-indazol-1-ylethanone is sourced from PubChem (CID 5308084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).