(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

C20H20N2O2 — CID 47839341

IUPAC(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccc(OCc3ccccc3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C20H20N2O2/c23-20(22-10-4-5-11-22)19-12-16-8-9-17(13-18(16)21-19)24-14-15-6-2-1-3-7-15/h1-3,6-9,12-13,21H,4-5,10-11,14H2
InChIKeySCRAPJJBECXZSS-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.98
Rot. Bonds4

About (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone

(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 47839341) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID47839341
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2ccc(OCc3ccccc3)cc2[nH]1)N1CCCC1
InChIInChI=1S/C20H20N2O2/c23-20(22-10-4-5-11-22)19-12-16-8-9-17(13-18(16)21-19)24-14-15-6-2-1-3-7-15/h1-3,6-9,12-13,21H,4-5,10-11,14H2
InChIKeySCRAPJJBECXZSS-UHFFFAOYSA-N
XLogP3.98
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
CID 112526940
1-(6-ethoxy-1H-indole-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 119168568
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(6-ethoxy-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 47265248
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
(6-ethoxy-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55822131

Frequently Asked Questions

What is the IUPAC name of (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone (CID 47839341) is (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc2ccc(OCc3ccccc3)cc2[nH]1)N1CCCC1.
What is the InChIKey of (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SCRAPJJBECXZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(22-10-4-5-11-22)19-12-16-8-9-17(13-18(16)21-19)24-14-15-6-2-1-3-7-15/h1-3,6-9,12-13,21H,4-5,10-11,14H2.
What are the key properties of (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone?
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 320.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 47839341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).