5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one

C10H11ClN2O — CID 82758304

IUPAC5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESC[C@H](N)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C10H11ClN2O/c1-5(12)7-2-6-3-10(14)13-9(6)4-8(7)11/h2,4-5H,3,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyZBGDDUHNVFHBRC-YFKPBYRVSA-N
MW210.66 g/mol
LogP1.85
Rot. Bonds1

About 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one

5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one (PubChem CID 82758304) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
PubChem CID82758304
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
SMILESC[C@H](N)c1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C10H11ClN2O/c1-5(12)7-2-6-3-10(14)13-9(6)4-8(7)11/h2,4-5H,3,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyZBGDDUHNVFHBRC-YFKPBYRVSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
5-[amino-(4-chlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457597
5-[amino-(3,4-dichlorophenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457576
5-[amino-(3-chloro-4-methylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63194843
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
CID 104521145
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 79212497
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 63434327
5-[1-amino-2-(4-fluorophenyl)ethyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457581

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one (CID 82758304) is 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one is C[C@H](N)c1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one?
The InChIKey is ZBGDDUHNVFHBRC-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5(12)7-2-6-3-10(14)13-9(6)4-8(7)11/h2,4-5H,3,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one?
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82758304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).