[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

C20H20N2O2 — CID 110711026

IUPAC[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H20N2O2/c1-24-19-9-5-3-7-16(19)20(23)22-11-10-14(13-22)17-12-21-18-8-4-2-6-15(17)18/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyCZIVQBCPRTWMIA-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.81
Rot. Bonds3

About [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 110711026) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID110711026
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C20H20N2O2/c1-24-19-9-5-3-7-16(19)20(23)22-11-10-14(13-22)17-12-21-18-8-4-2-6-15(17)18/h2-9,12,14,21H,10-11,13H2,1H3
InChIKeyCZIVQBCPRTWMIA-UHFFFAOYSA-N
XLogP3.81
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[2-(difluoromethoxy)-3-methoxyphenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 55510978
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
3-(3,4-dimethoxyphenyl)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 113087764
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
[3-(furan-2-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110423788
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone (CID 110711026) is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is CZIVQBCPRTWMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-24-19-9-5-3-7-16(19)20(23)22-11-10-14(13-22)17-12-21-18-8-4-2-6-15(17)18/h2-9,12,14,21H,10-11,13H2,1H3.
What are the key properties of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone?
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 110711026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).