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

C9H19ClN2O — CID 117227891

IUPAC4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCN2C)N1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-6-12-9(10-7)8-4-3-5-11(8)2;/h7-10H,3-6H2,1-2H3;1H
InChIKeyUMALYFJKCZOANR-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.84
Rot. Bonds1

About 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride

4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227891) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227891
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C2CCCN2C)N1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-7-6-12-9(10-7)8-4-3-5-11(8)2;/h7-10H,3-6H2,1-2H3;1H
InChIKeyUMALYFJKCZOANR-UHFFFAOYSA-N
XLogP0.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpyrrolidin-2-yl)-4-methyl-1,3-oxazolidine;hydrochloride
CID 117227905
4-methyl-2-piperidin-2-yl-1,3-oxazolidine;hydrochloride
CID 117227945
2-(1-methylpyrrolidin-2-yl)-1,3-oxazinane
CID 117225935
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227683
4-methyl-2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227627
4-methyl-2-(thiolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227601
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-oxazolidine;hydrochloride
CID 117228597
2-(4-methyl-1,3-oxazolidin-2-yl)thiolane 1,1-dioxide
CID 117227874
1-methyl-2-(oxan-4-yl)pyrrolidine
CID 76626708
2-methyl-2,7-diazabicyclo[4.2.0]octane;dihydrochloride
CID 135393059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride (CID 117227891) is 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride is CC1COC(C2CCCN2C)N1.Cl.
What is the InChIKey of 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is UMALYFJKCZOANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-7-6-12-9(10-7)8-4-3-5-11(8)2;/h7-10H,3-6H2,1-2H3;1H.
What are the key properties of 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).