2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride

C8H17ClN2O — CID 117225605

IUPAC2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCN1CCC(C2NCCO2)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-10-4-2-7(6-10)8-9-3-5-11-8;/h7-9H,2-6H2,1H3;1H
InChIKeyNHQXWWBJEPBMRW-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.31
Rot. Bonds1

About 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride

2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117225605) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117225605
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCN1CCC(C2NCCO2)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-10-4-2-7(6-10)8-9-3-5-11-8;/h7-9H,2-6H2,1H3;1H
InChIKeyNHQXWWBJEPBMRW-UHFFFAOYSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpiperidin-3-yl)-1,3-oxazolidine
CID 117225662
2-(1-ethylpiperidin-3-yl)-1,3-oxazolidine
CID 117225664
2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117225611
(3R)-1-methyl-3-[(2S)-oxiran-2-yl]pyrrolidine
CID 124858887
2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117225597
3-(1-methylpiperidin-3-yl)morpholine
CID 82406439
4-(1-methylpyrrolidin-3-yl)-1-(morpholin-2-ylmethyl)imidazolidin-2-one
CID 116980702
2-(1-methylpiperidin-4-yl)morpholine
CID 82406455
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076
4-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]diazepine
CID 82416478
6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 146675358
(1S,6R)-3-methyl-3,8-diazabicyclo[4.2.0]octane
CID 71432744

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride (CID 117225605) is 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride is CN1CCC(C2NCCO2)C1.Cl.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is NHQXWWBJEPBMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-10-4-2-7(6-10)8-9-3-5-11-8;/h7-9H,2-6H2,1H3;1H.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride?
2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117225605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).