2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone

C15H20N2O2 — CID 129465608

IUPAC2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
SMILESCOC[C@]1(C(=O)N2CCc3ccccc32)CCNC1
InChIInChI=1S/C15H20N2O2/c1-19-11-15(7-8-16-10-15)14(18)17-9-6-12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3/t15-/m0/s1
InChIKeyMKJGCAGBTFZCBE-HNNXBMFYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone (PubChem CID 129465608) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
PubChem CID129465608
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
SMILESCOC[C@]1(C(=O)N2CCc3ccccc32)CCNC1
InChIInChI=1S/C15H20N2O2/c1-19-11-15(7-8-16-10-15)14(18)17-9-6-12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3/t15-/m0/s1
InChIKeyMKJGCAGBTFZCBE-HNNXBMFYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120620289
(4-chloro-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120633556
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120644013
(3-ethylpyrrolidin-3-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 63776796
[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
CID 120646209
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
(1R,4R)-4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 6543989
4-(2,3-dihydroindole-1-carbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2946417
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(3-methylpyrrolidine-3-carbonyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106901863

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone (CID 129465608) is 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone is COC[C@]1(C(=O)N2CCc3ccccc32)CCNC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone?
The InChIKey is MKJGCAGBTFZCBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-11-15(7-8-16-10-15)14(18)17-9-6-12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3/t15-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 129465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).