4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one

C18H19NO — CID 82133752

IUPAC4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H19NO/c1-14(20)13-18(15-7-3-2-4-8-15)19-12-11-16-9-5-6-10-17(16)19/h2-10,18H,11-13H2,1H3
InChIKeyQQOVPXXNCIRTND-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.77
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one

4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one (PubChem CID 82133752) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
PubChem CID82133752
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one
SMILESCC(=O)CC(c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H19NO/c1-14(20)13-18(15-7-3-2-4-8-15)19-12-11-16-9-5-6-10-17(16)19/h2-10,18H,11-13H2,1H3
InChIKeyQQOVPXXNCIRTND-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 ≤ 102

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Related Compounds

3-(2,3-dihydroindol-1-yl)-3-phenylpropanethioamide
CID 62779934
methyl (4R)-4-(2,3-dihydroindol-1-yl)-2-nitro-4-phenylbutanoate
CID 25001016
2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanol
CID 155093221
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
2-(2,3-dihydroindol-1-yl)pentanoic acid
CID 21135037
3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 122143195
N-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(1-phenylethyl)oxamide
CID 43996860
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
N-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-N'-phenyloxamide
CID 18583742
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylpropanamide
CID 7497558
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 7179568

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one (CID 82133752) is 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one is CC(=O)CC(c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one?
The InChIKey is QQOVPXXNCIRTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-14(20)13-18(15-7-3-2-4-8-15)19-12-11-16-9-5-6-10-17(16)19/h2-10,18H,11-13H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one?
4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one has a molecular weight of 265.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 82133752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).