3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride

C9H17ClN2O2 — CID 138598218

IUPAC3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1N1CCOC1=O
InChIInChI=1S/C9H16N2O2.ClH/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12;/h7-8H,1-6,10H2;1H/t7-,8-;/m1./s1
InChIKeyLBBSUFBPPBRAQQ-SCLLHFNJSA-N
MW220.70 g/mol
LogP1.13
Rot. Bonds1

About 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride

3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 138598218) has the molecular formula C9H17ClN2O2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
PubChem CID138598218
Molecular FormulaC9H17ClN2O2
Molecular Weight220.70 g/mol
Exact Mass220.10
IUPAC Name3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCCC[C@H]1N1CCOC1=O
InChIInChI=1S/C9H16N2O2.ClH/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12;/h7-8H,1-6,10H2;1H/t7-,8-;/m1./s1
InChIKeyLBBSUFBPPBRAQQ-SCLLHFNJSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride (CID 138598218) is 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride is Cl.N[C@@H]1CCCC[C@H]1N1CCOC1=O.
What is the InChIKey of 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is LBBSUFBPPBRAQQ-SCLLHFNJSA-N. The full InChI is InChI=1S/C9H16N2O2.ClH/c10-7-3-1-2-4-8(7)11-5-6-13-9(11)12;/h7-8H,1-6,10H2;1H/t7-,8-;/m1./s1.
What are the key properties of 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride?
3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 220.70 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-aminocyclohexyl]-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 138598218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).