5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one

C14H16ClNO — CID 107002627

IUPAC5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
SMILESCC1(C)CC1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16ClNO/c1-14(2)7-10(14)13(15)8-3-4-11-9(5-8)6-12(17)16-11/h3-5,10,13H,6-7H2,1-2H3,(H,16,17)
InChIKeyZTNVEOZCVXMUJH-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.51
Rot. Bonds2

About 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one

5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 107002627) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
PubChem CID107002627
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
SMILESCC1(C)CC1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16ClNO/c1-14(2)7-10(14)13(15)8-3-4-11-9(5-8)6-12(17)16-11/h3-5,10,13H,6-7H2,1-2H3,(H,16,17)
InChIKeyZTNVEOZCVXMUJH-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
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-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65157955
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 79762985
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083783
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2-phenylethyl)-1,3-dihydroindol-2-one
CID 61083581

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one (CID 107002627) is 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one is CC1(C)CC1C(Cl)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZTNVEOZCVXMUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-14(2)7-10(14)13(15)8-3-4-11-9(5-8)6-12(17)16-11/h3-5,10,13H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 249.74 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107002627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).