[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C21H22N2O2 — CID 70697161

IUPAC[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)C2)c(C)c1
InChIInChI=1S/C21H22N2O2/c1-14-11-16(25-2)7-8-17(14)21(24)23-10-9-15(13-23)19-12-22-20-6-4-3-5-18(19)20/h3-8,11-12,15,22H,9-10,13H2,1-2H3
InChIKeyJSRDRODWLJRRBH-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.11
Rot. Bonds3

About [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 70697161) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID70697161
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)C2)c(C)c1
InChIInChI=1S/C21H22N2O2/c1-14-11-16(25-2)7-8-17(14)21(24)23-10-9-15(13-23)19-12-22-20-6-4-3-5-18(19)20/h3-8,11-12,15,22H,9-10,13H2,1-2H3
InChIKeyJSRDRODWLJRRBH-UHFFFAOYSA-N
XLogP4.11
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
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Pci-34051
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Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
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GR 46611
CID 6160690
Del-22379
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5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
N-Acetyl-5-benzyloxytryptamine
CID 563605

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 70697161) is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(c3c[nH]c4ccccc34)C2)c(C)c1.
What is the InChIKey of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is JSRDRODWLJRRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-11-16(25-2)7-8-17(14)21(24)23-10-9-15(13-23)19-12-22-20-6-4-3-5-18(19)20/h3-8,11-12,15,22H,9-10,13H2,1-2H3.
What are the key properties of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 334.42 g/mol, XLogP of 4.11, 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]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 70697161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).