5-chloro-3-ethyl-1,3-dimethylindol-2-one

C12H14ClNO — CID 102364594

IUPAC5-chloro-3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c1-4-12(2)9-7-8(13)5-6-10(9)14(3)11(12)15/h5-7H,4H2,1-3H3
InChIKeyJQKQTAKYKPDJIM-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.98
Rot. Bonds1

About 5-chloro-3-ethyl-1,3-dimethylindol-2-one

5-chloro-3-ethyl-1,3-dimethylindol-2-one (PubChem CID 102364594) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name5-chloro-3-ethyl-1,3-dimethylindol-2-one
PubChem CID102364594
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name5-chloro-3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C12H14ClNO/c1-4-12(2)9-7-8(13)5-6-10(9)14(3)11(12)15/h5-7H,4H2,1-3H3
InChIKeyJQKQTAKYKPDJIM-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1,3-dimethylindol-2-one?
The IUPAC name of 5-chloro-3-ethyl-1,3-dimethylindol-2-one (CID 102364594) is 5-chloro-3-ethyl-1,3-dimethylindol-2-one.
What is the SMILES notation for 5-chloro-3-ethyl-1,3-dimethylindol-2-one?
The canonical SMILES for 5-chloro-3-ethyl-1,3-dimethylindol-2-one is CCC1(C)C(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-ethyl-1,3-dimethylindol-2-one?
The InChIKey is JQKQTAKYKPDJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-4-12(2)9-7-8(13)5-6-10(9)14(3)11(12)15/h5-7H,4H2,1-3H3.
What are the key properties of 5-chloro-3-ethyl-1,3-dimethylindol-2-one?
5-chloro-3-ethyl-1,3-dimethylindol-2-one has a molecular weight of 223.70 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1,3-dimethylindol-2-one is sourced from PubChem (CID 102364594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).