(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone

C15H20N2O2 — CID 66236076

IUPAC(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNC1COCC1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c16-14-10-19-9-13(14)15(18)17-7-6-12(8-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2
InChIKeyXZNHQKSZASPYIL-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.98
Rot. Bonds2

About (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone

(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 66236076) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID66236076
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESNC1COCC1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H20N2O2/c16-14-10-19-9-13(14)15(18)17-7-6-12(8-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2
InChIKeyXZNHQKSZASPYIL-UHFFFAOYSA-N
XLogP0.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
(4-aminooxolan-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 66239793
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 136583837
(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone (CID 66236076) is (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone is NC1COCC1C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is XZNHQKSZASPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-14-10-19-9-13(14)15(18)17-7-6-12(8-17)11-4-2-1-3-5-11/h1-5,12-14H,6-10,16H2.
What are the key properties of (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone?
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66236076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).