7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one

C10H11ClN2O — CID 82190653

IUPAC7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(CN)cc(Cl)cc21
InChIInChI=1S/C10H11ClN2O/c1-5-8-3-7(11)2-6(4-12)9(8)13-10(5)14/h2-3,5H,4,12H2,1H3,(H,13,14)
InChIKeyHFXOYTCYPQOBDR-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.85
Rot. Bonds1

About 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one

7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82190653) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82190653
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c(CN)cc(Cl)cc21
InChIInChI=1S/C10H11ClN2O/c1-5-8-3-7(11)2-6(4-12)9(8)13-10(5)14/h2-3,5H,4,12H2,1H3,(H,13,14)
InChIKeyHFXOYTCYPQOBDR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82190653) is 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c(CN)cc(Cl)cc21.
What is the InChIKey of 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is HFXOYTCYPQOBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5-8-3-7(11)2-6(4-12)9(8)13-10(5)14/h2-3,5H,4,12H2,1H3,(H,13,14).
What are the key properties of 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
7-(aminomethyl)-5-chloro-3-methyl-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 7-(aminomethyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).