1-(3-chloro-1H-indol-6-yl)propan-1-one

C11H10ClNO — CID 69029999

IUPAC1-(3-chloro-1H-indol-6-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C11H10ClNO/c1-2-11(14)7-3-4-8-9(12)6-13-10(8)5-7/h3-6,13H,2H2,1H3
InChIKeyFLUPKQPGTDZWAD-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.41
Rot. Bonds2

About 1-(3-chloro-1H-indol-6-yl)propan-1-one

1-(3-chloro-1H-indol-6-yl)propan-1-one (PubChem CID 69029999) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-(3-chloro-1H-indol-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-1H-indol-6-yl)propan-1-one
PubChem CID69029999
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name1-(3-chloro-1H-indol-6-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C11H10ClNO/c1-2-11(14)7-3-4-8-9(12)6-13-10(8)5-7/h3-6,13H,2H2,1H3
InChIKeyFLUPKQPGTDZWAD-UHFFFAOYSA-N
XLogP3.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
CID 18453185
1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
CID 118818873
1-(4-chloro-3-phenylphenyl)propan-1-one
CID 71113096
1-(4-chloro-3-methylsulfanylphenyl)propan-1-one
CID 118854904
1-(3-chloro-4-pyrrol-1-ylphenyl)propan-1-one
CID 154702901
3-(6-chloro-1H-indol-3-yl)-3-oxopropanenitrile;propanenitrile
CID 175220156
butyl 3-chloro-1H-indole-5-carboxylate
CID 174487827
1-[3-(2,3-dichlorophenyl)phenyl]propan-1-one
CID 55198842
3-chloro-N-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-N-propyl-1H-indole-6-carboxamide;hydrochloride
CID 69143063
3-chloro-N-[(1R)-1-phenyl-2-[(1-propan-2-ylpiperidin-1-ium-1-carbonyl)amino]ethyl]-1H-indole-6-carboxamide
CID 20790082
1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
CID 71036998
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1H-indol-6-yl)propan-1-one?
The IUPAC name of 1-(3-chloro-1H-indol-6-yl)propan-1-one (CID 69029999) is 1-(3-chloro-1H-indol-6-yl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-1H-indol-6-yl)propan-1-one?
The canonical SMILES for 1-(3-chloro-1H-indol-6-yl)propan-1-one is CCC(=O)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 1-(3-chloro-1H-indol-6-yl)propan-1-one?
The InChIKey is FLUPKQPGTDZWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-11(14)7-3-4-8-9(12)6-13-10(8)5-7/h3-6,13H,2H2,1H3.
What are the key properties of 1-(3-chloro-1H-indol-6-yl)propan-1-one?
1-(3-chloro-1H-indol-6-yl)propan-1-one has a molecular weight of 207.66 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1H-indol-6-yl)propan-1-one is sourced from PubChem (CID 69029999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).