3-amino-3-methyloxan-2-one;hydrochloride

C6H12ClNO2 — CID 19437229

IUPAC3-amino-3-methyloxan-2-one;hydrochloride
SMILESCC1(N)CCCOC1=O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(7)3-2-4-9-5(6)8;/h2-4,7H2,1H3;1H
InChIKeyGWJUAGDALIZAIS-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.46
Rot. Bonds

About 3-amino-3-methyloxan-2-one;hydrochloride

3-amino-3-methyloxan-2-one;hydrochloride (PubChem CID 19437229) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 3-amino-3-methyloxan-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-3-methyloxan-2-one;hydrochloride
PubChem CID19437229
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name3-amino-3-methyloxan-2-one;hydrochloride
SMILESCC1(N)CCCOC1=O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(7)3-2-4-9-5(6)8;/h2-4,7H2,1H3;1H
InChIKeyGWJUAGDALIZAIS-UHFFFAOYSA-N
XLogP0.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyloxan-2-one;hydrochloride?
The IUPAC name of 3-amino-3-methyloxan-2-one;hydrochloride (CID 19437229) is 3-amino-3-methyloxan-2-one;hydrochloride.
What is the SMILES notation for 3-amino-3-methyloxan-2-one;hydrochloride?
The canonical SMILES for 3-amino-3-methyloxan-2-one;hydrochloride is CC1(N)CCCOC1=O.Cl.
What is the InChIKey of 3-amino-3-methyloxan-2-one;hydrochloride?
The InChIKey is GWJUAGDALIZAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-6(7)3-2-4-9-5(6)8;/h2-4,7H2,1H3;1H.
What are the key properties of 3-amino-3-methyloxan-2-one;hydrochloride?
3-amino-3-methyloxan-2-one;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyloxan-2-one;hydrochloride is sourced from PubChem (CID 19437229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).