oxane-4-carboxamide;hydrochloride

C6H12ClNO2 — CID 68867617

IUPACoxane-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO2.ClH/c7-6(8)5-1-3-9-4-2-5;/h5H,1-4H2,(H2,7,8);1H
InChIKeyYUWYELLNOWOIEC-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.32
Rot. Bonds1

About oxane-4-carboxamide;hydrochloride

oxane-4-carboxamide;hydrochloride (PubChem CID 68867617) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Nameoxane-4-carboxamide;hydrochloride
PubChem CID68867617
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Nameoxane-4-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CCOCC1
InChIInChI=1S/C6H11NO2.ClH/c7-6(8)5-1-3-9-4-2-5;/h5H,1-4H2,(H2,7,8);1H
InChIKeyYUWYELLNOWOIEC-UHFFFAOYSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxane-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxane-4-carboxamide;hydrochloride?
The IUPAC name of oxane-4-carboxamide;hydrochloride (CID 68867617) is oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for oxane-4-carboxamide;hydrochloride?
The canonical SMILES for oxane-4-carboxamide;hydrochloride is Cl.NC(=O)C1CCOCC1.
What is the InChIKey of oxane-4-carboxamide;hydrochloride?
The InChIKey is YUWYELLNOWOIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c7-6(8)5-1-3-9-4-2-5;/h5H,1-4H2,(H2,7,8);1H.
What are the key properties of oxane-4-carboxamide;hydrochloride?
oxane-4-carboxamide;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 68867617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).