1-(5-chloro-1-methylindol-2-yl)ethanone;ethane

C13H16ClNO — CID 145281717

IUPAC1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C11H10ClNO.C2H6/c1-7(14)11-6-8-5-9(12)3-4-10(8)13(11)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKOIWVUJGMFGMGD-UHFFFAOYSA-N
MW237.73 g/mol
LogP4.06
Rot. Bonds1

About 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane

1-(5-chloro-1-methylindol-2-yl)ethanone;ethane (PubChem CID 145281717) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
PubChem CID145281717
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C11H10ClNO.C2H6/c1-7(14)11-6-8-5-9(12)3-4-10(8)13(11)2;1-2/h3-6H,1-2H3;1-2H3
InChIKeyKOIWVUJGMFGMGD-UHFFFAOYSA-N
XLogP4.06
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
1-(5-chloro-1-ethylindol-2-yl)ethanone
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3-acetyl-6-chloro-1-methylquinolin-2-one
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azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
5-chloro-N-(diaminomethylidene)-1-methylindole-2-carboxamide
CID 15290298
tert-butyl 3-(5-chloro-1-methylindol-2-yl)-3-oxopropanoate
CID 91475479
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
2-[2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoylamino]-3-methylbutanoic acid
CID 4839787
5-chloro-2-(ethylsulfonylmethyl)-1-methylindole
CID 117176679
methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane?
The IUPAC name of 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane (CID 145281717) is 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane.
What is the SMILES notation for 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane?
The canonical SMILES for 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane is CC.CC(=O)c1cc2cc(Cl)ccc2n1C.
What is the InChIKey of 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane?
The InChIKey is KOIWVUJGMFGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO.C2H6/c1-7(14)11-6-8-5-9(12)3-4-10(8)13(11)2;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane?
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane has a molecular weight of 237.73 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylindol-2-yl)ethanone;ethane is sourced from PubChem (CID 145281717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).