2-methyloxane-4-carboxamide;hydrochloride

C7H14ClNO2 — CID 69117493

IUPAC2-methyloxane-4-carboxamide;hydrochloride
SMILESCC1CC(C(N)=O)CCO1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-4-6(7(8)9)2-3-10-5;/h5-6H,2-4H2,1H3,(H2,8,9);1H
InChIKeyBSIYEIQUGMOBHI-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds1

About 2-methyloxane-4-carboxamide;hydrochloride

2-methyloxane-4-carboxamide;hydrochloride (PubChem CID 69117493) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-methyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-methyloxane-4-carboxamide;hydrochloride
PubChem CID69117493
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-methyloxane-4-carboxamide;hydrochloride
SMILESCC1CC(C(N)=O)CCO1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-5-4-6(7(8)9)2-3-10-5;/h5-6H,2-4H2,1H3,(H2,8,9);1H
InChIKeyBSIYEIQUGMOBHI-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyloxane-4-carboxamide;hydrochloride?
The IUPAC name of 2-methyloxane-4-carboxamide;hydrochloride (CID 69117493) is 2-methyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-methyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for 2-methyloxane-4-carboxamide;hydrochloride is CC1CC(C(N)=O)CCO1.Cl.
What is the InChIKey of 2-methyloxane-4-carboxamide;hydrochloride?
The InChIKey is BSIYEIQUGMOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-5-4-6(7(8)9)2-3-10-5;/h5-6H,2-4H2,1H3,(H2,8,9);1H.
What are the key properties of 2-methyloxane-4-carboxamide;hydrochloride?
2-methyloxane-4-carboxamide;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 69117493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).