(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

C23H22N2O2 — CID 112812254

IUPAC(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2c2cccn2C)oc2c1ccc1ccccc12
InChIInChI=1S/C23H22N2O2/c1-15-17-12-11-16-7-3-4-8-18(16)22(17)27-21(15)23(26)25-14-6-10-20(25)19-9-5-13-24(19)2/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3
InChIKeyDKTVSANLQMBEMM-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.21
Rot. Bonds2

About (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone

(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 112812254) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID112812254
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2c2cccn2C)oc2c1ccc1ccccc12
InChIInChI=1S/C23H22N2O2/c1-15-17-12-11-16-7-3-4-8-18(16)22(17)27-21(15)23(26)25-14-6-10-20(25)19-9-5-13-24(19)2/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3
InChIKeyDKTVSANLQMBEMM-UHFFFAOYSA-N
XLogP5.21
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
(3-methylbenzo[g][1]benzofuran-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832793
(4-ethylpiperazin-4-ium-1-yl)-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 9070915
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933
[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51727015
[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 112810410
(7-fluoro-3-methyl-1-benzofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948028
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methylbenzo[g][1]benzofuran-2-carboxylate
CID 8806417
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
CID 95903641
N-[[4-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]methyl]acetamide
CID 24685063

Frequently Asked Questions

What is the IUPAC name of (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone (CID 112812254) is (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCCC2c2cccn2C)oc2c1ccc1ccccc12.
What is the InChIKey of (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DKTVSANLQMBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-17-12-11-16-7-3-4-8-18(16)22(17)27-21(15)23(26)25-14-6-10-20(25)19-9-5-13-24(19)2/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3.
What are the key properties of (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone?
(3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylbenzo[g][1]benzofuran-2-yl)-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112812254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).