1,2-diphenyl-6,7-dihydro-5H-indol-4-one

C20H17NO — CID 3511336

IUPAC1,2-diphenyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H17NO/c22-20-13-7-12-18-17(20)14-19(15-8-3-1-4-9-15)21(18)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
InChIKeyBYDPATGSGNCVRY-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.66
Rot. Bonds2

About 1,2-diphenyl-6,7-dihydro-5H-indol-4-one

1,2-diphenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 3511336) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 1,2-diphenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1,2-diphenyl-6,7-dihydro-5H-indol-4-one
PubChem CID3511336
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name1,2-diphenyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCCc2c1cc(-c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C20H17NO/c22-20-13-7-12-18-17(20)14-19(15-8-3-1-4-9-15)21(18)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
InChIKeyBYDPATGSGNCVRY-UHFFFAOYSA-N
XLogP4.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1,2-diphenyl-6,7-dihydro-5H-indol-4-one (CID 3511336) is 1,2-diphenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1,2-diphenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1,2-diphenyl-6,7-dihydro-5H-indol-4-one is O=C1CCCc2c1cc(-c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 1,2-diphenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is BYDPATGSGNCVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c22-20-13-7-12-18-17(20)14-19(15-8-3-1-4-9-15)21(18)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2.
What are the key properties of 1,2-diphenyl-6,7-dihydro-5H-indol-4-one?
1,2-diphenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 287.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 3511336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).