3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one

C14H19N3O — CID 81308775

IUPAC3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
SMILESCC1CCCN1c1ccc2c(c1)N(C)C(=O)C2N
InChIInChI=1S/C14H19N3O/c1-9-4-3-7-17(9)10-5-6-11-12(8-10)16(2)14(18)13(11)15/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyIJMAYJIMOGFTSV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.65
Rot. Bonds1

About 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one

3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one (PubChem CID 81308775) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
PubChem CID81308775
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
SMILESCC1CCCN1c1ccc2c(c1)N(C)C(=O)C2N
InChIInChI=1S/C14H19N3O/c1-9-4-3-7-17(9)10-5-6-11-12(8-10)16(2)14(18)13(11)15/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyIJMAYJIMOGFTSV-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851
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CID 81308553
3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
CID 81300740
3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
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6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one
CID 81308996
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
CID 62135927
1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660148
(2S)-2-methyl-1-(3-nitrosophenyl)pyrrolidine
CID 88991187
4-(2-methylazepan-1-yl)benzene-1,2-diamine
CID 106750861
2-methyl-5-(2-methylpyrrolidin-1-yl)benzoic acid
CID 79679880
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one?
The IUPAC name of 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one (CID 81308775) is 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one?
The canonical SMILES for 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one is CC1CCCN1c1ccc2c(c1)N(C)C(=O)C2N.
What is the InChIKey of 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one?
The InChIKey is IJMAYJIMOGFTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-4-3-7-17(9)10-5-6-11-12(8-10)16(2)14(18)13(11)15/h5-6,8-9,13H,3-4,7,15H2,1-2H3.
What are the key properties of 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one?
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one is sourced from PubChem (CID 81308775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).