(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

C22H24N2O — CID 113088443

IUPAC(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc4ccccc4n3C)C2)cc1C
InChIInChI=1S/C22H24N2O/c1-15-8-9-18(12-16(15)2)22(25)24-11-10-19(14-24)21-13-17-6-4-5-7-20(17)23(21)3/h4-9,12-13,19H,10-11,14H2,1-3H3
InChIKeyZVQSWSZJIHEMTR-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.42
Rot. Bonds2

About (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone

(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 113088443) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID113088443
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc4ccccc4n3C)C2)cc1C
InChIInChI=1S/C22H24N2O/c1-15-8-9-18(12-16(15)2)22(25)24-11-10-19(14-24)21-13-17-6-4-5-7-20(17)23(21)3/h4-9,12-13,19H,10-11,14H2,1-3H3
InChIKeyZVQSWSZJIHEMTR-UHFFFAOYSA-N
XLogP4.42
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 97181730

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone (CID 113088443) is (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3cc4ccccc4n3C)C2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ZVQSWSZJIHEMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-8-9-18(12-16(15)2)22(25)24-11-10-19(14-24)21-13-17-6-4-5-7-20(17)23(21)3/h4-9,12-13,19H,10-11,14H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone?
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 332.45 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 113088443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).