1-(7-chloro-1H-indol-3-yl)propan-1-one

C11H10ClNO — CID 103474389

IUPAC1-(7-chloro-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClNO/c1-2-10(14)8-6-13-11-7(8)4-3-5-9(11)12/h3-6,13H,2H2,1H3
InChIKeyGMRYAFWXHWIFIU-UHFFFAOYSA-N
MW207.66 g/mol
LogP3.41
Rot. Bonds2

About 1-(7-chloro-1H-indol-3-yl)propan-1-one

1-(7-chloro-1H-indol-3-yl)propan-1-one (PubChem CID 103474389) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 1-(7-chloro-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(7-chloro-1H-indol-3-yl)propan-1-one
PubChem CID103474389
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name1-(7-chloro-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClNO/c1-2-10(14)8-6-13-11-7(8)4-3-5-9(11)12/h3-6,13H,2H2,1H3
InChIKeyGMRYAFWXHWIFIU-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

(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
1-(7-bromo-1H-indol-3-yl)butan-1-one
CID 175665969
1-(7-chloro-1H-indol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103474326
1-(7-bromo-1H-indol-3-yl)-2-chloroethanone
CID 28806672
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 103474378
3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
CID 103474428
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(7-chloro-1H-indol-3-yl)propan-1-one (CID 103474389) is 1-(7-chloro-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(7-chloro-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(7-chloro-1H-indol-3-yl)propan-1-one is CCC(=O)c1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-1H-indol-3-yl)propan-1-one?
The InChIKey is GMRYAFWXHWIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c1-2-10(14)8-6-13-11-7(8)4-3-5-9(11)12/h3-6,13H,2H2,1H3.
What are the key properties of 1-(7-chloro-1H-indol-3-yl)propan-1-one?
1-(7-chloro-1H-indol-3-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-(7-chloro-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 103474389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).