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

C14H12ClNO2 — CID 61083783

IUPAC5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C14H12ClNO2/c1-8-2-5-12(18-8)14(15)9-3-4-11-10(6-9)7-13(17)16-11/h2-6,14H,7H2,1H3,(H,16,17)
InChIKeyZOUFBGGGESHWRD-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.41
Rot. Bonds2

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

5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 61083783) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID61083783
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(C(Cl)c2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C14H12ClNO2/c1-8-2-5-12(18-8)14(15)9-3-4-11-10(6-9)7-13(17)16-11/h2-6,14H,7H2,1H3,(H,16,17)
InChIKeyZOUFBGGGESHWRD-UHFFFAOYSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.41
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

6-[chloro-(5-methylfuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61085173
5-[(5-methylfuran-2-yl)-(propylamino)methyl]-1,3-dihydroindol-2-one
CID 43496622
5-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 63210169
5-[chloro-(3-methylthiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61083583
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417
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-(2-iodophenyl)methyl]-1,3-dihydroindol-2-one
CID 61086610
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-[chloro-(2,2-dimethylcyclopropyl)methyl]-1,3-dihydroindol-2-one
CID 107002627
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
CID 79095790

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (CID 61083783) is 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(C(Cl)c2ccc3c(c2)CC(=O)N3)o1.
What is the InChIKey of 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is ZOUFBGGGESHWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-8-2-5-12(18-8)14(15)9-3-4-11-10(6-9)7-13(17)16-11/h2-6,14H,7H2,1H3,(H,16,17).
What are the key properties of 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 261.71 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(5-methylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61083783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).