(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

C15H21N3O2 — CID 67316189

IUPAC(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1N)N(C(=O)[C@@H]1CCCN1C)CC2
InChIInChI=1S/C15H21N3O2/c1-17-6-3-4-12(17)15(19)18-7-5-10-8-14(20-2)11(16)9-13(10)18/h8-9,12H,3-7,16H2,1-2H3/t12-/m0/s1
InChIKeyLKQQOLQSRBJDGR-LBPRGKRZSA-N
MW275.35 g/mol
LogP1.26
Rot. Bonds2

About (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone

(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 67316189) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID67316189
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCOc1cc2c(cc1N)N(C(=O)[C@@H]1CCCN1C)CC2
InChIInChI=1S/C15H21N3O2/c1-17-6-3-4-12(17)15(19)18-7-5-10-8-14(20-2)11(16)9-13(10)18/h8-9,12H,3-7,16H2,1-2H3/t12-/m0/s1
InChIKeyLKQQOLQSRBJDGR-LBPRGKRZSA-N
XLogP1.26
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)-[(2R)-1-methylpyrrolidin-2-yl]methanone
CID 67315877
(6-amino-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 141303250
[(2S)-1-(deuteriomethyl)pyrrolidin-2-yl]-(5-methoxy-6-nitro-2,3-dihydroindol-1-yl)methanone
CID 141233004
1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-[ethyl(methyl)amino]ethanone
CID 59442016
(2R)-1-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-2-(dimethylamino)propan-1-one
CID 59441762
2-fluoro-6-[[2-[[5-methoxy-1-[(2S)-1-methylpyrrolidine-2-carbonyl]-2,3-dihydroindol-6-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 59441755
2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
6-methoxy-1,1,2-trimethyl-3,4-dihydroisoquinolin-7-amine
CID 142365913
2-deuterio-1-[5-methoxy-6-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 175813762
(2R)-N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-methylazepane-2-carboxamide
CID 97192797

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 67316189) is (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is COc1cc2c(cc1N)N(C(=O)[C@@H]1CCCN1C)CC2.
What is the InChIKey of (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is LKQQOLQSRBJDGR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-6-3-4-12(17)15(19)18-7-5-10-8-14(20-2)11(16)9-13(10)18/h8-9,12H,3-7,16H2,1-2H3/t12-/m0/s1.
What are the key properties of (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone?
(6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-methoxy-2,3-dihydroindol-1-yl)-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 67316189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).