5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one

C14H16ClNO2 — CID 61277900

IUPAC5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)C3CCOC3)ccc21
InChIInChI=1S/C14H16ClNO2/c1-16-12-3-2-9(6-11(12)7-13(16)17)14(15)10-4-5-18-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyMNFMDZAZHVNORR-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.52
Rot. Bonds2

About 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one

5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61277900) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID61277900
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(Cl)C3CCOC3)ccc21
InChIInChI=1S/C14H16ClNO2/c1-16-12-3-2-9(6-11(12)7-13(16)17)14(15)10-4-5-18-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3
InChIKeyMNFMDZAZHVNORR-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(2-oxoindolin-5-yl)butyrate
CID 22931351
3-(Chloromethyl)-1-methylindolin-2-one
CID 129857314
(3S)-3-(4-chlorobutyl)-1,3-dimethylindol-2-one
CID 166444606
3-(5-Chloropentyl)-1,3-dimethylindol-2-one
CID 177697860
5-(1-chloro-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61083786
5-[1-chloro-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 61083986
5-[chloro-(4-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084184
5-(1-chloro-3,3,3-trifluoropropyl)-1-methyl-3H-indol-2-one
CID 61084385
5-[chloro-(3-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61084982
5-[1-chloro-2-(4-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 61084983
5-[chloro-(2-fluorophenyl)methyl]-1-methyl-3H-indol-2-one
CID 61085194
5-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3H-indol-2-one
CID 61085820

Frequently Asked Questions

What is the IUPAC name of 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one (CID 61277900) is 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(Cl)C3CCOC3)ccc21.
What is the InChIKey of 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is MNFMDZAZHVNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-16-12-3-2-9(6-11(12)7-13(16)17)14(15)10-4-5-18-8-10/h2-3,6,10,14H,4-5,7-8H2,1H3.
What are the key properties of 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(oxolan-3-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61277900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).