6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one

C12H15ClN2O — CID 82236816

IUPAC6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one
SMILESCCCNC1C(=O)N(C)c2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-3-6-14-11-9-5-4-8(13)7-10(9)15(2)12(11)16/h4-5,7,11,14H,3,6H2,1-2H3
InChIKeyKPAAYLKZPIATLT-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.36
Rot. Bonds3

About 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one

6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one (PubChem CID 82236816) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one
PubChem CID82236816
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one
SMILESCCCNC1C(=O)N(C)c2cc(Cl)ccc21
InChIInChI=1S/C12H15ClN2O/c1-3-6-14-11-9-5-4-8(13)7-10(9)15(2)12(11)16/h4-5,7,11,14H,3,6H2,1-2H3
InChIKeyKPAAYLKZPIATLT-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one?
The IUPAC name of 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one (CID 82236816) is 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one.
What is the SMILES notation for 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one?
The canonical SMILES for 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one is CCCNC1C(=O)N(C)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one?
The InChIKey is KPAAYLKZPIATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-6-14-11-9-5-4-8(13)7-10(9)15(2)12(11)16/h4-5,7,11,14H,3,6H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one?
6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(propylamino)-3H-indol-2-one is sourced from PubChem (CID 82236816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).