3-(ethylamino)-1-propyl-3H-indol-2-one

C13H18N2O — CID 82238885

IUPAC3-(ethylamino)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(NCC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-9-15-11-8-6-5-7-10(11)12(13(15)16)14-4-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyJLYLKEBOLNNESW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds4

About 3-(ethylamino)-1-propyl-3H-indol-2-one

3-(ethylamino)-1-propyl-3H-indol-2-one (PubChem CID 82238885) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(ethylamino)-1-propyl-3H-indol-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-propyl-3H-indol-2-one
PubChem CID82238885
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(ethylamino)-1-propyl-3H-indol-2-one
SMILESCCCN1C(=O)C(NCC)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-3-9-15-11-8-6-5-7-10(11)12(13(15)16)14-4-2/h5-8,12,14H,3-4,9H2,1-2H3
InChIKeyJLYLKEBOLNNESW-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-propyl-3H-indol-2-one?
The IUPAC name of 3-(ethylamino)-1-propyl-3H-indol-2-one (CID 82238885) is 3-(ethylamino)-1-propyl-3H-indol-2-one.
What is the SMILES notation for 3-(ethylamino)-1-propyl-3H-indol-2-one?
The canonical SMILES for 3-(ethylamino)-1-propyl-3H-indol-2-one is CCCN1C(=O)C(NCC)c2ccccc21.
What is the InChIKey of 3-(ethylamino)-1-propyl-3H-indol-2-one?
The InChIKey is JLYLKEBOLNNESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-15-11-8-6-5-7-10(11)12(13(15)16)14-4-2/h5-8,12,14H,3-4,9H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-propyl-3H-indol-2-one?
3-(ethylamino)-1-propyl-3H-indol-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-propyl-3H-indol-2-one is sourced from PubChem (CID 82238885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).