(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one

C20H23NO — CID 135054054

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
SMILESCC(C)C[C@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15(2)14-18(16-8-4-3-5-9-16)20(22)21-13-12-17-10-6-7-11-19(17)21/h3-11,15,18H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyDIRSDMXJVVSHPZ-SFHVURJKSA-N
MW293.41 g/mol
LogP4.41
Rot. Bonds4

About (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one

(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one (PubChem CID 135054054) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
PubChem CID135054054
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one
SMILESCC(C)C[C@H](C(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H23NO/c1-15(2)14-18(16-8-4-3-5-9-16)20(22)21-13-12-17-10-6-7-11-19(17)21/h3-11,15,18H,12-14H2,1-2H3/t18-/m0/s1
InChIKeyDIRSDMXJVVSHPZ-SFHVURJKSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
1-(2,3-dihydroindol-1-yl)-2-phenyl-3-pyridin-4-ylpropan-1-one
CID 110417579
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
methyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351760
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]propane-1-sulfonamide
CID 110351767
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
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110351772
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] benzoate
CID 2661512
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one (CID 135054054) is (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one is CC(C)C[C@H](C(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one?
The InChIKey is DIRSDMXJVVSHPZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23NO/c1-15(2)14-18(16-8-4-3-5-9-16)20(22)21-13-12-17-10-6-7-11-19(17)21/h3-11,15,18H,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one has a molecular weight of 293.41 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-2-phenylpentan-1-one is sourced from PubChem (CID 135054054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).