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

C10H11ClN2O — CID 83754353

IUPAC1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CC(N)c2ccc(Cl)cc21
InChIInChI=1S/C10H11ClN2O/c1-6(14)13-5-9(12)8-3-2-7(11)4-10(8)13/h2-4,9H,5,12H2,1H3
InChIKeyJDCPNYAQAKPCSR-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.71
Rot. Bonds

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

1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone (PubChem CID 83754353) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
PubChem CID83754353
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone
SMILESCC(=O)N1CC(N)c2ccc(Cl)cc21
InChIInChI=1S/C10H11ClN2O/c1-6(14)13-5-9(12)8-3-2-7(11)4-10(8)13/h2-4,9H,5,12H2,1H3
InChIKeyJDCPNYAQAKPCSR-UHFFFAOYSA-N
XLogP1.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone (CID 83754353) is 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone is CC(=O)N1CC(N)c2ccc(Cl)cc21.
What is the InChIKey of 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is JDCPNYAQAKPCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-6(14)13-5-9(12)8-3-2-7(11)4-10(8)13/h2-4,9H,5,12H2,1H3.
What are the key properties of 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone?
1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 210.66 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-chloro-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 83754353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).