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

C15H14ClNO2 — CID 61086222

IUPAC5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1ccoc1C(Cl)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H14ClNO2/c1-9-5-6-19-15(9)14(16)10-3-4-12-11(7-10)8-13(18)17(12)2/h3-7,14H,8H2,1-2H3
InChIKeyPQNCJPIZNMEWIE-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.44
Rot. Bonds2

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

5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61086222) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID61086222
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCc1ccoc1C(Cl)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C15H14ClNO2/c1-9-5-6-19-15(9)14(16)10-3-4-12-11(7-10)8-13(18)17(12)2/h3-7,14H,8H2,1-2H3
InChIKeyPQNCJPIZNMEWIE-UHFFFAOYSA-N
XLogP3.44
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 61086222) is 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one is Cc1ccoc1C(Cl)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is PQNCJPIZNMEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-5-6-19-15(9)14(16)10-3-4-12-11(7-10)8-13(18)17(12)2/h3-7,14H,8H2,1-2H3.
What are the key properties of 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one?
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 275.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61086222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).