5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one

C16H20ClNO2 — CID 65157955

IUPAC5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCC1OC(C)C(C(Cl)c2ccc3c(c2)CC(=O)N3)C1C
InChIInChI=1S/C16H20ClNO2/c1-8-9(2)20-10(3)15(8)16(17)11-4-5-13-12(6-11)7-14(19)18-13/h4-6,8-10,15-16H,7H2,1-3H3,(H,18,19)
InChIKeyXMNFFPXDFGVXEA-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.52
Rot. Bonds2

About 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one

5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 65157955) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID65157955
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCC1OC(C)C(C(Cl)c2ccc3c(c2)CC(=O)N3)C1C
InChIInChI=1S/C16H20ClNO2/c1-8-9(2)20-10(3)15(8)16(17)11-4-5-13-12(6-11)7-14(19)18-13/h4-6,8-10,15-16H,7H2,1-3H3,(H,18,19)
InChIKeyXMNFFPXDFGVXEA-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.52
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

5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79762985
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
3-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,4,5-trimethyloxolane
CID 79746653
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one (CID 65157955) is 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one is CC1OC(C)C(C(Cl)c2ccc3c(c2)CC(=O)N3)C1C.
What is the InChIKey of 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is XMNFFPXDFGVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-8-9(2)20-10(3)15(8)16(17)11-4-5-13-12(6-11)7-14(19)18-13/h4-6,8-10,15-16H,7H2,1-3H3,(H,18,19).
What are the key properties of 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 293.79 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 65157955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).