1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one

C21H17NO2 — CID 18317495

IUPAC1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CC(c2ccccc2)Cc2c1ccn2C(=O)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-14-17(15-7-3-1-4-8-15)13-19-18(20)11-12-22(19)21(24)16-9-5-2-6-10-16/h1-12,17H,13-14H2
InChIKeyKWDRJAQJUIJJBC-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.09
Rot. Bonds2

About 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one

1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one (PubChem CID 18317495) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one
PubChem CID18317495
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CC(c2ccccc2)Cc2c1ccn2C(=O)c1ccccc1
InChIInChI=1S/C21H17NO2/c23-20-14-17(15-7-3-1-4-8-15)13-19-18(20)11-12-22(19)21(24)16-9-5-2-6-10-16/h1-12,17H,13-14H2
InChIKeyKWDRJAQJUIJJBC-UHFFFAOYSA-N
XLogP4.09
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylbenzoyl)-6,7-dihydro-5H-indol-4-one
CID 134135638
2-methylidene-5-phenylcyclohexane-1,3-dione
CID 54567672
2-(dimethylaminomethylidene)-5-phenylcyclohexane-1,3-dione
CID 10890110
(7R)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 30033725
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
(3S)-5,6-dimethoxy-3-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 129365943
(7R)-3-(morpholine-4-carbonyl)-7-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 95196562
1-benzoyl-3-methylidene-5-phenylpyrrolidin-2-one
CID 101438685
(6S,9S)-5-benzoyl-9-(4-chlorophenyl)-6-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one
CID 40962154
N'-[(5R)-3-oxo-5-phenylcyclohexen-1-yl]benzohydrazide
CID 1274909
(2,6-dioxo-4-phenylcyclohexylidene)methyl 2-amino-3-sulfanylpropanoate
CID 146662330

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one (CID 18317495) is 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one is O=C1CC(c2ccccc2)Cc2c1ccn2C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is KWDRJAQJUIJJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-20-14-17(15-7-3-1-4-8-15)13-19-18(20)11-12-22(19)21(24)16-9-5-2-6-10-16/h1-12,17H,13-14H2.
What are the key properties of 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one?
1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 315.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-6-phenyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 18317495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).