3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one

C11H13ClN2O — CID 119310127

IUPAC3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
SMILESNCCC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-8-4-6-14(10(8)7-9)11(15)3-5-13/h1-2,7H,3-6,13H2
InChIKeyOUIRZGXYERYRDF-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.58
Rot. Bonds2

About 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one

3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 119310127) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID119310127
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
SMILESNCCC(=O)N1CCc2ccc(Cl)cc21
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-8-4-6-14(10(8)7-9)11(15)3-5-13/h1-2,7H,3-6,13H2
InChIKeyOUIRZGXYERYRDF-UHFFFAOYSA-N
XLogP1.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
3-[(6-chloro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 122018695
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 17257492
2-amino-1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 131036223
[(1R,3R)-3-aminocyclopentyl]-(6-chloro-2,3-dihydroindol-1-yl)methanone
CID 124699729
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
6-amino-4-ethyl-1-(6-fluoro-2,3-dihydroindol-1-yl)hexan-1-one
CID 103495276
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619950

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one (CID 119310127) is 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one is NCCC(=O)N1CCc2ccc(Cl)cc21.
What is the InChIKey of 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is OUIRZGXYERYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-2-1-8-4-6-14(10(8)7-9)11(15)3-5-13/h1-2,7H,3-6,13H2.
What are the key properties of 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one?
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 224.69 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 119310127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).