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

C19H20N2O2 — CID 72898684

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCC3c3ccco3)cc2c1C
InChIInChI=1S/C19H20N2O2/c1-12-13(2)20-16-8-7-14(11-15(12)16)19(22)21-9-3-5-17(21)18-6-4-10-23-18/h4,6-8,10-11,17,20H,3,5,9H2,1-2H3
InChIKeyOXQADGDUFDRSQE-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.36
Rot. Bonds2

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

(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 72898684) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID72898684
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCC3c3ccco3)cc2c1C
InChIInChI=1S/C19H20N2O2/c1-12-13(2)20-16-8-7-14(11-15(12)16)19(22)21-9-3-5-17(21)18-6-4-10-23-18/h4,6-8,10-11,17,20H,3,5,9H2,1-2H3
InChIKeyOXQADGDUFDRSQE-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

(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 70717996
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 99297656
1-[4-[2-(furan-2-yl)azepane-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 139002535

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 72898684) is (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is Cc1[nH]c2ccc(C(=O)N3CCCC3c3ccco3)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OXQADGDUFDRSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-13(2)20-16-8-7-14(11-15(12)16)19(22)21-9-3-5-17(21)18-6-4-10-23-18/h4,6-8,10-11,17,20H,3,5,9H2,1-2H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-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 (2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72898684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).