5-(2-chloroethyl)indol-2-one

C10H8ClNO — CID 69088453

IUPAC5-(2-chloroethyl)indol-2-one
SMILESO=C1C=c2cc(CCCl)ccc2=N1
InChIInChI=1S/C10H8ClNO/c11-4-3-7-1-2-9-8(5-7)6-10(13)12-9/h1-2,5-6H,3-4H2
InChIKeyDWRKJYMPBGQROF-UHFFFAOYSA-N
MW193.63 g/mol
LogP0.41
Rot. Bonds2

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

5-(2-chloroethyl)indol-2-one (PubChem CID 69088453) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 5-(2-chloroethyl)indol-2-one.

Molecular Properties

Compound Name5-(2-chloroethyl)indol-2-one
PubChem CID69088453
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name5-(2-chloroethyl)indol-2-one
SMILESO=C1C=c2cc(CCCl)ccc2=N1
InChIInChI=1S/C10H8ClNO/c11-4-3-7-1-2-9-8(5-7)6-10(13)12-9/h1-2,5-6H,3-4H2
InChIKeyDWRKJYMPBGQROF-UHFFFAOYSA-N
XLogP0.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 50.41
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-chloroethyl)indol-2-one?
The IUPAC name of 5-(2-chloroethyl)indol-2-one (CID 69088453) is 5-(2-chloroethyl)indol-2-one.
What is the SMILES notation for 5-(2-chloroethyl)indol-2-one?
The canonical SMILES for 5-(2-chloroethyl)indol-2-one is O=C1C=c2cc(CCCl)ccc2=N1.
What is the InChIKey of 5-(2-chloroethyl)indol-2-one?
The InChIKey is DWRKJYMPBGQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-4-3-7-1-2-9-8(5-7)6-10(13)12-9/h1-2,5-6H,3-4H2.
What are the key properties of 5-(2-chloroethyl)indol-2-one?
5-(2-chloroethyl)indol-2-one has a molecular weight of 193.63 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)indol-2-one is sourced from PubChem (CID 69088453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).