(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

C14H19N3O — CID 141303250

IUPAC(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C14H19N3O/c1-16-7-2-3-12(16)14(18)17-8-6-10-4-5-11(15)9-13(10)17/h4-5,9,12H,2-3,6-8,15H2,1H3/t12-/m0/s1
InChIKeyAODPRKUKVOEMOZ-LBPRGKRZSA-N
MW245.33 g/mol
LogP1.25
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 141303250) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID141303250
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCc2ccc(N)cc21
InChIInChI=1S/C14H19N3O/c1-16-7-2-3-12(16)14(18)17-8-6-10-4-5-11(15)9-13(10)17/h4-5,9,12H,2-3,6-8,15H2,1H3/t12-/m0/s1
InChIKeyAODPRKUKVOEMOZ-LBPRGKRZSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 141303250) is (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is CN1CCC[C@H]1C(=O)N1CCc2ccc(N)cc21.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is AODPRKUKVOEMOZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-7-2-3-12(16)14(18)17-8-6-10-4-5-11(15)9-13(10)17/h4-5,9,12H,2-3,6-8,15H2,1H3/t12-/m0/s1.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 245.33 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 141303250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).