6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

C15H21N3O — CID 43586850

IUPAC6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C(C)C3CC3)ccc21
InChIInChI=1S/C15H21N3O/c1-9(10-4-5-10)18(3)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-10,14,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyISYIFWNDTFPZFU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.13
Rot. Bonds4

About 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one

6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 43586850) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID43586850
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N(C)C(C)C3CC3)ccc21
InChIInChI=1S/C15H21N3O/c1-9(10-4-5-10)18(3)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-10,14,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyISYIFWNDTFPZFU-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one (CID 43586850) is 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N(C)C(C)C3CC3)ccc21.
What is the InChIKey of 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is ISYIFWNDTFPZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-9(10-4-5-10)18(3)11-6-7-12-13(8-11)17-15(19)14(12)16-2/h6-10,14,16H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one?
6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).