1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C20H24N2O3 — CID 42895108

IUPAC1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C20H24N2O3/c1-12-18(14(3)23)13(2)21-19(12)20(24)22-10-6-9-17(22)15-7-5-8-16(11-15)25-4/h5,7-8,11,17,21H,6,9-10H2,1-4H3
InChIKeyIVKSDAAZOVPYMD-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.82
Rot. Bonds4

About 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 42895108) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID42895108
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
InChIInChI=1S/C20H24N2O3/c1-12-18(14(3)23)13(2)21-19(12)20(24)22-10-6-9-17(22)15-7-5-8-16(11-15)25-4/h5,7-8,11,17,21H,6,9-10H2,1-4H3
InChIKeyIVKSDAAZOVPYMD-UHFFFAOYSA-N
XLogP3.82
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-[(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 32626574
methyl 5-[(2R)-2-(4-methoxyphenyl)azepane-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 34474795
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-(3,4,7-trimethyl-1H-indol-2-yl)methanone
CID 97145875
methyl 5-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42925922
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92626259
furan-2-yl-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 60716835
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
1-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 120735787
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 8853924

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 42895108) is 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is COc1cccc(C2CCCN2C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1.
What is the InChIKey of 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is IVKSDAAZOVPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12-18(14(3)23)13(2)21-19(12)20(24)22-10-6-9-17(22)15-7-5-8-16(11-15)25-4/h5,7-8,11,17,21H,6,9-10H2,1-4H3.
What are the key properties of 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 42895108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).