5-(2-chloropropyl)indol-2-one

C11H10ClNO — CID 141227928

IUPAC5-(2-chloropropyl)indol-2-one
SMILESCC(Cl)Cc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H10ClNO/c1-7(12)4-8-2-3-10-9(5-8)6-11(14)13-10/h2-3,5-7H,4H2,1H3
InChIKeyKXNGDNCGANPQKH-UHFFFAOYSA-N
MW207.66 g/mol
LogP0.80
Rot. Bonds2

About 5-(2-chloropropyl)indol-2-one

5-(2-chloropropyl)indol-2-one (PubChem CID 141227928) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 5-(2-chloropropyl)indol-2-one.

Molecular Properties

Compound Name5-(2-chloropropyl)indol-2-one
PubChem CID141227928
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name5-(2-chloropropyl)indol-2-one
SMILESCC(Cl)Cc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C11H10ClNO/c1-7(12)4-8-2-3-10-9(5-8)6-11(14)13-10/h2-3,5-7H,4H2,1H3
InChIKeyKXNGDNCGANPQKH-UHFFFAOYSA-N
XLogP0.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-chloropropyl)indol-2-one?
The IUPAC name of 5-(2-chloropropyl)indol-2-one (CID 141227928) is 5-(2-chloropropyl)indol-2-one.
What is the SMILES notation for 5-(2-chloropropyl)indol-2-one?
The canonical SMILES for 5-(2-chloropropyl)indol-2-one is CC(Cl)Cc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-(2-chloropropyl)indol-2-one?
The InChIKey is KXNGDNCGANPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-7(12)4-8-2-3-10-9(5-8)6-11(14)13-10/h2-3,5-7H,4H2,1H3.
What are the key properties of 5-(2-chloropropyl)indol-2-one?
5-(2-chloropropyl)indol-2-one has a molecular weight of 207.66 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropropyl)indol-2-one is sourced from PubChem (CID 141227928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).