3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one

C12H17N3O — CID 82238898

IUPAC3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCCN)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-2-8-3-4-10-9(7-8)11(12(16)15-10)14-6-5-13/h3-4,7,11,14H,2,5-6,13H2,1H3,(H,15,16)
InChIKeyPWSMAFPNSYBUQC-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.79
Rot. Bonds4

About 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one

3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one (PubChem CID 82238898) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
PubChem CID82238898
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCCN)C(=O)N2
InChIInChI=1S/C12H17N3O/c1-2-8-3-4-10-9(7-8)11(12(16)15-10)14-6-5-13/h3-4,7,11,14H,2,5-6,13H2,1H3,(H,15,16)
InChIKeyPWSMAFPNSYBUQC-UHFFFAOYSA-N
XLogP0.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 114993784
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114993679
5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
CID 114999748
N-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3155458
2-[(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)amino]propanamide
CID 114989561
5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
CID 114990098
3-(4-aminobutylamino)-5-fluoro-1,3-dihydroindol-2-one
CID 114996534
5-propoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 115002940
5-ethoxy-3-(propylamino)-1,3-dihydroindol-2-one
CID 114991944
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
3-(3-ethylanilino)-5-fluoro-1,3-dihydroindol-2-one
CID 43196077
5-methoxy-3-(pentylamino)-1,3-dihydroindol-2-one
CID 114990088

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one (CID 82238898) is 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one is CCc1ccc2c(c1)C(NCCN)C(=O)N2.
What is the InChIKey of 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one?
The InChIKey is PWSMAFPNSYBUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-8-3-4-10-9(7-8)11(12(16)15-10)14-6-5-13/h3-4,7,11,14H,2,5-6,13H2,1H3,(H,15,16).
What are the key properties of 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one?
3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82238898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).