2-chloro-1-(3H-indol-5-yl)ethanone

C10H8ClNO — CID 140989277

IUPAC2-chloro-1-(3H-indol-5-yl)ethanone
SMILESO=C(CCl)c1ccc2c(c1)CC=N2
InChIInChI=1S/C10H8ClNO/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9/h1-2,4-5H,3,6H2
InChIKeyODETTZXGFYMUCV-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.37
Rot. Bonds2

About 2-chloro-1-(3H-indol-5-yl)ethanone

2-chloro-1-(3H-indol-5-yl)ethanone (PubChem CID 140989277) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 2-chloro-1-(3H-indol-5-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3H-indol-5-yl)ethanone
PubChem CID140989277
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name2-chloro-1-(3H-indol-5-yl)ethanone
SMILESO=C(CCl)c1ccc2c(c1)CC=N2
InChIInChI=1S/C10H8ClNO/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9/h1-2,4-5H,3,6H2
InChIKeyODETTZXGFYMUCV-UHFFFAOYSA-N
XLogP2.37
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.37
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 2-chloro-1-(3H-indol-5-yl)ethanone?
The IUPAC name of 2-chloro-1-(3H-indol-5-yl)ethanone (CID 140989277) is 2-chloro-1-(3H-indol-5-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3H-indol-5-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3H-indol-5-yl)ethanone is O=C(CCl)c1ccc2c(c1)CC=N2.
What is the InChIKey of 2-chloro-1-(3H-indol-5-yl)ethanone?
The InChIKey is ODETTZXGFYMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9/h1-2,4-5H,3,6H2.
What are the key properties of 2-chloro-1-(3H-indol-5-yl)ethanone?
2-chloro-1-(3H-indol-5-yl)ethanone has a molecular weight of 193.63 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3H-indol-5-yl)ethanone is sourced from PubChem (CID 140989277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).