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

C14H16ClNO2 — CID 79762985

IUPAC5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCC1OCCC1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16ClNO2/c1-8-11(4-5-18-8)14(15)9-2-3-12-10(6-9)7-13(17)16-12/h2-3,6,8,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyWKYKFVLISMTPFC-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.89
Rot. Bonds2

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

5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 79762985) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID79762985
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESCC1OCCC1C(Cl)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C14H16ClNO2/c1-8-11(4-5-18-8)14(15)9-2-3-12-10(6-9)7-13(17)16-12/h2-3,6,8,11,14H,4-5,7H2,1H3,(H,16,17)
InChIKeyWKYKFVLISMTPFC-UHFFFAOYSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.89
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]-3,3-dimethyl-1H-indol-2-one
CID 80500878
5-[chloro-(2,4,5-trimethyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 65157955
6-[amino-(2-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 79760009
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
5-(2-methyloxolane-3-carbonyl)-1,3-dihydroindol-2-one
CID 79759211
3-[chloro-(3,4-difluorophenyl)methyl]-2-methyloxolane
CID 79762893
3-[chloro-(4-methylphenyl)methyl]-2-methyloxolane
CID 79762541
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
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-chloro-3-cyclopentylpropyl)-1,3-dihydroindol-2-one
CID 61084776

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one (CID 79762985) is 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one is CC1OCCC1C(Cl)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is WKYKFVLISMTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-8-11(4-5-18-8)14(15)9-2-3-12-10(6-9)7-13(17)16-12/h2-3,6,8,11,14H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-methyloxolan-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79762985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).