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

C12H14ClNO — CID 121011616

IUPAC7-chloro-3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2c(Cl)cccc21
InChIInChI=1S/C12H14ClNO/c1-4-12(2)8-6-5-7-9(13)10(8)14(3)11(12)15/h5-7H,4H2,1-3H3
InChIKeyPOUSDBSOMHIVOP-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.98
Rot. Bonds1

About 7-chloro-3-ethyl-1,3-dimethylindol-2-one

7-chloro-3-ethyl-1,3-dimethylindol-2-one (PubChem CID 121011616) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 7-chloro-3-ethyl-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name7-chloro-3-ethyl-1,3-dimethylindol-2-one
PubChem CID121011616
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name7-chloro-3-ethyl-1,3-dimethylindol-2-one
SMILESCCC1(C)C(=O)N(C)c2c(Cl)cccc21
InChIInChI=1S/C12H14ClNO/c1-4-12(2)8-6-5-7-9(13)10(8)14(3)11(12)15/h5-7H,4H2,1-3H3
InChIKeyPOUSDBSOMHIVOP-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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Related Compounds

3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-7-chloro-1,3-dimethyl-3-(4-oxo-6-phenylhexyl)indol-2-one
CID 135030406
3-ethyl-1,3-dimethylpyrrolo[2,3-b]pyridin-2-one
CID 134840605
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 150804057
4-ethyl-2,4-dimethylbenzo[g]isoquinoline-1,3-dione
CID 135032468
7-chloro-3-(chloromethyl)-5-iodo-1,3-dimethylindol-2-one
CID 122218264
5-ethyl-1,3,5-trimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 15532914
1,3,7-trimethyl-3-[(4-methylphenyl)sulfonylmethyl]indol-2-one
CID 71814638
7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
CID 18888515
7'-chloro-1'-decylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889713
7'-chloro-1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889714

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-1,3-dimethylindol-2-one?
The IUPAC name of 7-chloro-3-ethyl-1,3-dimethylindol-2-one (CID 121011616) is 7-chloro-3-ethyl-1,3-dimethylindol-2-one.
What is the SMILES notation for 7-chloro-3-ethyl-1,3-dimethylindol-2-one?
The canonical SMILES for 7-chloro-3-ethyl-1,3-dimethylindol-2-one is CCC1(C)C(=O)N(C)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-3-ethyl-1,3-dimethylindol-2-one?
The InChIKey is POUSDBSOMHIVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-4-12(2)8-6-5-7-9(13)10(8)14(3)11(12)15/h5-7H,4H2,1-3H3.
What are the key properties of 7-chloro-3-ethyl-1,3-dimethylindol-2-one?
7-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 7-chloro-3-ethyl-1,3-dimethylindol-2-one is sourced from PubChem (CID 121011616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).