2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H21ClN2O — CID 117227729

IUPAC2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(CC2CCNC2)N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8-7-13-10(2,12-8)5-9-3-4-11-6-9;/h8-9,11-12H,3-7H2,1-2H3;1H
InChIKeyYPTVKJSTYBYFCP-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.13
Rot. Bonds2

About 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride

2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227729) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117227729
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(CC2CCNC2)N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-8-7-13-10(2,12-8)5-9-3-4-11-6-9;/h8-9,11-12H,3-7H2,1-2H3;1H
InChIKeyYPTVKJSTYBYFCP-UHFFFAOYSA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117227729) is 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1COC(C)(CC2CCNC2)N1.Cl.
What is the InChIKey of 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is YPTVKJSTYBYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-8-7-13-10(2,12-8)5-9-3-4-11-6-9;/h8-9,11-12H,3-7H2,1-2H3;1H.
What are the key properties of 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).