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

C17H20N2O2 — CID 110711015

IUPAC[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,16,18H,3,6-9,11H2
InChIKeyKQBLFUWAUMJEKX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.66
Rot. Bonds2

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

[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 110711015) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID110711015
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,16,18H,3,6-9,11H2
InChIKeyKQBLFUWAUMJEKX-UHFFFAOYSA-N
XLogP2.66
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-2,2-diphenylethanone
CID 113087750
ethyl 3-(1H-indol-3-yl)pyrrolidine-1-carboxylate
CID 110711039
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110711020
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110711026
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
1-[3-(1H-indol-3-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110711034

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 110711015) is [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2c[nH]c3ccccc23)C1.
What is the InChIKey of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KQBLFUWAUMJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-12(11-19)14-10-18-15-5-2-1-4-13(14)15/h1-2,4-5,10,12,16,18H,3,6-9,11H2.
What are the key properties of [3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.66, 2 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]-(oxolan-2-yl)methanone is sourced from PubChem (CID 110711015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).