[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

C11H21ClN2O2 — CID 119260605

IUPAC[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCCO2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyQKWPYVBCPLWFKM-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.66
Rot. Bonds3

About [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (PubChem CID 119260605) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
PubChem CID119260605
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCNCC1CCN(C(=O)C2CCCO2)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10;/h9-10,12H,2-8H2,1H3;1H
InChIKeyQKWPYVBCPLWFKM-UHFFFAOYSA-N
XLogP0.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
[3-(methylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 104856430
[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
N-[[(3R)-1-[(2S)-oxolane-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 94029567
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 168813787
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The IUPAC name of [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (CID 119260605) is [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The canonical SMILES for [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is CNCC1CCN(C(=O)C2CCCO2)C1.Cl.
What is the InChIKey of [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The InChIKey is QKWPYVBCPLWFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-12-7-9-4-5-13(8-9)11(14)10-3-2-6-15-10;/h9-10,12H,2-8H2,1H3;1H.
What are the key properties of [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119260605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).