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

C12H15ClN2O — CID 82190657

IUPAC7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC(N)Cc1cc(Cl)cc2c1NC(=O)C2C
InChIInChI=1S/C12H15ClN2O/c1-6(14)3-8-4-9(13)5-10-7(2)12(16)15-11(8)10/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyFUAIHPSHKAMYGF-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.29
Rot. Bonds2

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

7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82190657) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82190657
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCC(N)Cc1cc(Cl)cc2c1NC(=O)C2C
InChIInChI=1S/C12H15ClN2O/c1-6(14)3-8-4-9(13)5-10-7(2)12(16)15-11(8)10/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKeyFUAIHPSHKAMYGF-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82190657) is 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is CC(N)Cc1cc(Cl)cc2c1NC(=O)C2C.
What is the InChIKey of 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is FUAIHPSHKAMYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-6(14)3-8-4-9(13)5-10-7(2)12(16)15-11(8)10/h4-7H,3,14H2,1-2H3,(H,15,16).
What are the key properties of 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one?
7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopropyl)-5-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).