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

C9H18ClNO2 — CID 117227438

IUPAC2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C2CCCOC2)NCCO1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(10-4-6-12-9)8-3-2-5-11-7-8;/h8,10H,2-7H2,1H3;1H
InChIKeyJBKNWTIJONJEAH-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.17
Rot. Bonds1

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

2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227438) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227438
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C2CCCOC2)NCCO1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-9(10-4-6-12-9)8-3-2-5-11-7-8;/h8,10H,2-7H2,1H3;1H
InChIKeyJBKNWTIJONJEAH-UHFFFAOYSA-N
XLogP1.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-methyl-1,3-oxazolidine;hydrochloride
CID 117227541
2-methyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227319
2,4,4-trimethyl-2-(oxolan-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227591
N-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 84650253
4-methyl-4-(oxan-3-yl)pyrrolidin-2-one
CID 105440648
2-(2-methyl-1,3-oxazolidin-2-yl)thiane 1,1-dioxide
CID 117227318
2,4-dimethyl-2-(oxolan-3-yl)-1,3-oxazolidine
CID 117227590
4-(oxan-3-yl)piperidin-4-ol
CID 107135511
2-methyl-1-(oxan-3-yl)cyclopropan-1-amine
CID 79332209
[2-methyl-2-(oxan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 117168815
5-methyl-5-(oxan-3-yl)-1,3-oxazolidin-2-one
CID 117158929
3-methyl-3-(oxan-3-yl)cyclopentan-1-amine
CID 107137841

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride (CID 117227438) is 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride is CC1(C2CCCOC2)NCCO1.Cl.
What is the InChIKey of 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is JBKNWTIJONJEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-9(10-4-6-12-9)8-3-2-5-11-7-8;/h8,10H,2-7H2,1H3;1H.
What are the key properties of 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride?
2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-3-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).