1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one

C18H19NO — CID 2914368

IUPAC1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(15-7-3-2-4-8-15)13-18(20)19-12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3
InChIKeyWOHXPAZYMPXJEU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.77
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one

1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one (PubChem CID 2914368) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one
PubChem CID2914368
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H19NO/c1-14(15-7-3-2-4-8-15)13-18(20)19-12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3
InChIKeyWOHXPAZYMPXJEU-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.77
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)-3-phenylbutan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one (CID 2914368) is 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one is CC(CC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one?
The InChIKey is WOHXPAZYMPXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(15-7-3-2-4-8-15)13-18(20)19-12-11-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one?
1-(2,3-dihydroindol-1-yl)-3-phenylbutan-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.77, 3 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)-3-phenylbutan-1-one is sourced from PubChem (CID 2914368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).