(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one

C17H17NO — CID 134943813

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)17(19)18-12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyRNZYKEKSAYAYOA-CYBMUJFWSA-N
MW251.33 g/mol
LogP3.38
Rot. Bonds2

About (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one (PubChem CID 134943813) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
PubChem CID134943813
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
SMILESC[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)17(19)18-12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3/t13-/m1/s1
InChIKeyRNZYKEKSAYAYOA-CYBMUJFWSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
CID 135054054
benzhydryl-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]azanium
CID 9105990
2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1,3-bis(3,4-dihydro-2H-quinolin-1-yl)-2-phenylpropane-1,3-dione
CID 3397137
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 2533731

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one (CID 134943813) is (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one is C[C@@H](C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
The InChIKey is RNZYKEKSAYAYOA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(14-7-3-2-4-8-14)17(19)18-12-11-15-9-5-6-10-16(15)18/h2-10,13H,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 134943813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).