1-(2-chloro-1-propylindol-3-yl)ethanone

C13H14ClNO — CID 82268364

IUPAC1-(2-chloro-1-propylindol-3-yl)ethanone
SMILESCCCn1c(Cl)c(C(C)=O)c2ccccc21
InChIInChI=1S/C13H14ClNO/c1-3-8-15-11-7-5-4-6-10(11)12(9(2)16)13(15)14/h4-7H,3,8H2,1-2H3
InChIKeyGHUDTYDPEUUODA-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-chloro-1-propylindol-3-yl)ethanone

1-(2-chloro-1-propylindol-3-yl)ethanone (PubChem CID 82268364) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(2-chloro-1-propylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-1-propylindol-3-yl)ethanone
PubChem CID82268364
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-(2-chloro-1-propylindol-3-yl)ethanone
SMILESCCCn1c(Cl)c(C(C)=O)c2ccccc21
InChIInChI=1S/C13H14ClNO/c1-3-8-15-11-7-5-4-6-10(11)12(9(2)16)13(15)14/h4-7H,3,8H2,1-2H3
InChIKeyGHUDTYDPEUUODA-UHFFFAOYSA-N
XLogP3.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-1-(3-methylbut-3-enyl)indol-3-yl]ethanone
CID 101492532
1-[2-chloro-1-(4-phenylbut-3-ynyl)indol-3-yl]ethanone
CID 53386957
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
CID 118447336
2-chloro-N'-(3-hydroxybenzoyl)-4-oxo-1-propylquinoline-3-carbohydrazide
CID 134099161
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
9-propylcarbazole-3-carbonyl iodide
CID 88957757
(E)-3-(1-butyl-2-chloroindol-3-yl)-2-methylprop-2-enoic acid
CID 82268377
1-(1-butyl-2-chloro-7-methoxyindol-3-yl)ethanone
CID 82269414
(4-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone
CID 45267819
1-(1-benzyl-2-chloro-6-methylindol-3-yl)ethanone
CID 82269669
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-propylindol-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-1-propylindol-3-yl)ethanone (CID 82268364) is 1-(2-chloro-1-propylindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-1-propylindol-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-1-propylindol-3-yl)ethanone is CCCn1c(Cl)c(C(C)=O)c2ccccc21.
What is the InChIKey of 1-(2-chloro-1-propylindol-3-yl)ethanone?
The InChIKey is GHUDTYDPEUUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-3-8-15-11-7-5-4-6-10(11)12(9(2)16)13(15)14/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-(2-chloro-1-propylindol-3-yl)ethanone?
1-(2-chloro-1-propylindol-3-yl)ethanone has a molecular weight of 235.71 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-propylindol-3-yl)ethanone is sourced from PubChem (CID 82268364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).