1-(2,3-dihydroindol-1-yl)-2-phenylethanone

C16H15NO — CID 740883

IUPAC1-(2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2
InChIKeyYIZXFZVLAQOAOS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.82
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-phenylethanone

1-(2,3-dihydroindol-1-yl)-2-phenylethanone (PubChem CID 740883) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-phenylethanone
PubChem CID740883
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2
InChIKeyYIZXFZVLAQOAOS-UHFFFAOYSA-N
XLogP2.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-phenylethanone (CID 740883) is 1-(2,3-dihydroindol-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
The InChIKey is YIZXFZVLAQOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-phenylethanone?
1-(2,3-dihydroindol-1-yl)-2-phenylethanone has a molecular weight of 237.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-phenylethanone is sourced from PubChem (CID 740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).