1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one

C21H22N2O2 — CID 110711034

IUPAC1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H22N2O2/c24-21(11-13-25-17-6-2-1-3-7-17)23-12-10-16(15-23)19-14-22-20-9-5-4-8-18(19)20/h1-9,14,16,22H,10-13,15H2
InChIKeySXNLATMFBRTGJL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.95
Rot. Bonds5

About 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one

1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one (PubChem CID 110711034) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
PubChem CID110711034
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C21H22N2O2/c24-21(11-13-25-17-6-2-1-3-7-17)23-12-10-16(15-23)19-14-22-20-9-5-4-8-18(19)20/h1-9,14,16,22H,10-13,15H2
InChIKeySXNLATMFBRTGJL-UHFFFAOYSA-N
XLogP3.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-1-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-one
CID 55910561
2-(4-chlorophenoxy)-1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethanone
CID 113087756
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
1-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110397481
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 66291437
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
1-[(3R)-3-aminopyrrolidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119410911
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 125024614
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one (CID 110711034) is 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is SXNLATMFBRTGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(11-13-25-17-6-2-1-3-7-17)23-12-10-16(15-23)19-14-22-20-9-5-4-8-18(19)20/h1-9,14,16,22H,10-13,15H2.
What are the key properties of 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one?
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 334.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 110711034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).