3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one

C11H15N3O — CID 82236321

IUPAC3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2NCCN
InChIInChI=1S/C11H15N3O/c1-7-3-2-4-8-9(7)14-11(15)10(8)13-6-5-12/h2-4,10,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyMJRMTSWXUAOASG-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.54
Rot. Bonds3

About 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one

3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 82236321) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
PubChem CID82236321
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2NCCN
InChIInChI=1S/C11H15N3O/c1-7-3-2-4-8-9(7)14-11(15)10(8)13-6-5-12/h2-4,10,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyMJRMTSWXUAOASG-UHFFFAOYSA-N
XLogP0.54
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyethylamino)-7-methyl-1,3-dihydroindol-2-one
CID 114997957
3-(3-methoxypropylamino)-7-methyl-1,3-dihydroindol-2-one
CID 114997955
N-methyl-2-[(7-methyl-2-oxo-1,3-dihydroindol-3-yl)amino]acetamide
CID 114997880
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699
3-anilino-7-methyl-1,3-dihydroindol-2-one
CID 114996622
3-(3-methoxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 114990077
11-[2-(diethylamino)ethylamino]-4-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 14502019
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723
3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 82238898
3-(2-hydroxypropylamino)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 114991972
3-[2-(dimethylamino)ethylamino]-4,7-dimethyl-1,3-dihydroindol-2-one
CID 114989767
5-fluoro-7-methyl-3-(propylamino)-1,3-dihydroindol-2-one
CID 82236748

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one (CID 82236321) is 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1NC(=O)C2NCCN.
What is the InChIKey of 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is MJRMTSWXUAOASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-3-2-4-8-9(7)14-11(15)10(8)13-6-5-12/h2-4,10,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one?
3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).