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

C17H20N2O2 — CID 113088297

IUPAC[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-13(11-19)15-10-12-4-1-2-5-14(12)18-15/h1-2,4-5,10,13,16,18H,3,6-9,11H2
InChIKeyNMQIVJGDZUOAJV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.66
Rot. Bonds2

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

[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 113088297) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID113088297
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCC(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-13(11-19)15-10-12-4-1-2-5-14(12)18-15/h1-2,4-5,10,13,16,18H,3,6-9,11H2
InChIKeyNMQIVJGDZUOAJV-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
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 110711015
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 113088321
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 113088297) is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCC(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is NMQIVJGDZUOAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(16-6-3-9-21-16)19-8-7-13(11-19)15-10-12-4-1-2-5-14(12)18-15/h1-2,4-5,10,13,16,18H,3,6-9,11H2.
What are the key properties of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[3-(1H-indol-2-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-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 113088297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).