(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one

C11H10ClNO2 — CID 7129467

IUPAC(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)CCl)cc21
InChIInChI=1S/C11H10ClNO2/c1-6-8-4-7(10(14)5-12)2-3-9(8)13-11(6)15/h2-4,6H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeySAYAASKDUFAACE-LURJTMIESA-N
MW223.66 g/mol
LogP2.16
Rot. Bonds2

About (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one

(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 7129467) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID7129467
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)CCl)cc21
InChIInChI=1S/C11H10ClNO2/c1-6-8-4-7(10(14)5-12)2-3-9(8)13-11(6)15/h2-4,6H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeySAYAASKDUFAACE-LURJTMIESA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9492249
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8886329
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9387319
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] adamantane-1-carboxylate
CID 9017892
6-(2-chloroacetyl)-3-methyl-3,4-dihydro-1H-quinolin-2-one;3-methyl-3,4-dihydro-1H-quinolin-2-one
CID 158397617
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405569
(3S)-3-methyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 9288861
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 8566933
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 8806229
[2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 9285944
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pentoxybenzoate
CID 9202639

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one (CID 7129467) is (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one is C[C@@H]1C(=O)Nc2ccc(C(=O)CCl)cc21.
What is the InChIKey of (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is SAYAASKDUFAACE-LURJTMIESA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-8-4-7(10(14)5-12)2-3-9(8)13-11(6)15/h2-4,6H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one?
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 7129467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).