(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone

C16H20N2O2 — CID 103536921

IUPAC(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C16H20N2O2/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18-7-6-13(9-18)20-3/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyJYXQGOWRQXHZGP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.65
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone

(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103536921) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103536921
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1
InChIInChI=1S/C16H20N2O2/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18-7-6-13(9-18)20-3/h4-5,8,13,17H,6-7,9H2,1-3H3
InChIKeyJYXQGOWRQXHZGP-UHFFFAOYSA-N
XLogP2.65
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
(4aS,8aS)-6-(2,3-dimethyl-1H-indole-5-carbonyl)-4-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110147248
(2,3-dimethyl-1H-indol-5-yl)-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110156921
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone (CID 103536921) is (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)C1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is JYXQGOWRQXHZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-11(2)17-15-5-4-12(8-14(10)15)16(19)18-7-6-13(9-18)20-3/h4-5,8,13,17H,6-7,9H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone?
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103536921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).