(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

C19H20N2O2 — CID 70717996

IUPAC(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC3c3ccco3)c(C)c2c1
InChIInChI=1S/C19H20N2O2/c1-12-7-8-15-14(11-12)13(2)18(20-15)19(22)21-9-3-5-16(21)17-6-4-10-23-17/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3
InChIKeyQZZHWWYOKQPUAV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.36
Rot. Bonds2

About (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone

(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 70717996) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID70717996
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC3c3ccco3)c(C)c2c1
InChIInChI=1S/C19H20N2O2/c1-12-7-8-15-14(11-12)13(2)18(20-15)19(22)21-9-3-5-16(21)17-6-4-10-23-17/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3
InChIKeyQZZHWWYOKQPUAV-UHFFFAOYSA-N
XLogP4.36
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.36
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

(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92626259
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97453901
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 97123700
(3,5-dimethyl-1H-indol-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 84578405
[2-(furan-2-yl)pyrrolidin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86960921
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 92721203
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
(3,5-dimethyl-1H-indol-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 84578683

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 70717996) is (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCCC3c3ccco3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QZZHWWYOKQPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-7-8-15-14(11-12)13(2)18(20-15)19(22)21-9-3-5-16(21)17-6-4-10-23-17/h4,6-8,10-11,16,20H,3,5,9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70717996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).