5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one

C13H16ClNO — CID 61084779

IUPAC5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16ClNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyWPTHAVCWBOIWNS-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.51
Rot. Bonds1

About 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one

5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (PubChem CID 61084779) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
PubChem CID61084779
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H16ClNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16)
InChIKeyWPTHAVCWBOIWNS-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-(1-bromo-2-methyl-2-phenylpropyl)-1,3-dihydroindol-2-one
CID 61097734
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
5-[chloro-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65157955
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-(1-chloro-2,2-dimethylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 80501056
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one (CID 61084779) is 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is CC(C)(C)C(Cl)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is WPTHAVCWBOIWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-13(2,3)12(14)8-4-5-10-9(6-8)7-11(16)15-10/h4-6,12H,7H2,1-3H3,(H,15,16).
What are the key properties of 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one?
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 237.73 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61084779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).