(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C12H14ClNO — CID 2432568

IUPAC(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@H](Cl)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C12H14ClNO/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13/h3-6,8-9H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeySJHLFEZNQZDFMP-BDAKNGLRSA-N
MW223.70 g/mol
LogP2.59
Rot. Bonds1

About (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 2432568) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID2432568
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESC[C@H](Cl)C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C12H14ClNO/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13/h3-6,8-9H,7H2,1-2H3/t8-,9+/m1/s1
InChIKeySJHLFEZNQZDFMP-BDAKNGLRSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one;sulfane
CID 160861486
(2R)-2-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 79011425
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-methylpyridin-1-ium-1-yl)propan-1-one
CID 8827343
[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477010
(2R)-2-amino-1-(2-methyl-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 104906801
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 2,6-dichlorobenzoate
CID 7723620
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92685321
2-(4-bromophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 42968436
(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-pyridin-4-ylsulfanylpropan-1-one
CID 97024890
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 2432568) is (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is C[C@H](Cl)C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is SJHLFEZNQZDFMP-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-7-10-5-3-4-6-11(10)14(8)12(15)9(2)13/h3-6,8-9H,7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
(2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 223.70 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 2432568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).