dimethyl(2H-pyran-4-yl)azanium chloride

C7H12ClNO — CID 140542832

IUPACdimethyl(2H-pyran-4-yl)azanium chloride
SMILESC[NH+](C)C1=CCOC=C1.[Cl-]
InChIInChI=1S/C7H11NO.ClH/c1-8(2)7-3-5-9-6-4-7;/h3-5H,6H2,1-2H3;1H
InChIKeyQNJOVMNPHKJUCV-UHFFFAOYSA-N
MW161.63 g/mol
LogP-3.44
Rot. Bonds1

About dimethyl(2H-pyran-4-yl)azanium chloride

dimethyl(2H-pyran-4-yl)azanium chloride (PubChem CID 140542832) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is dimethyl(2H-pyran-4-yl)azanium chloride.

Molecular Properties

Compound Namedimethyl(2H-pyran-4-yl)azanium chloride
PubChem CID140542832
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Namedimethyl(2H-pyran-4-yl)azanium chloride
SMILESC[NH+](C)C1=CCOC=C1.[Cl-]
InChIInChI=1S/C7H11NO.ClH/c1-8(2)7-3-5-9-6-4-7;/h3-5H,6H2,1-2H3;1H
InChIKeyQNJOVMNPHKJUCV-UHFFFAOYSA-N
XLogP-3.44
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 5-3.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dimethyl(2H-pyran-4-yl)azanium chloride?
The IUPAC name of dimethyl(2H-pyran-4-yl)azanium chloride (CID 140542832) is dimethyl(2H-pyran-4-yl)azanium chloride.
What is the SMILES notation for dimethyl(2H-pyran-4-yl)azanium chloride?
The canonical SMILES for dimethyl(2H-pyran-4-yl)azanium chloride is C[NH+](C)C1=CCOC=C1.[Cl-].
What is the InChIKey of dimethyl(2H-pyran-4-yl)azanium chloride?
The InChIKey is QNJOVMNPHKJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.ClH/c1-8(2)7-3-5-9-6-4-7;/h3-5H,6H2,1-2H3;1H.
What are the key properties of dimethyl(2H-pyran-4-yl)azanium chloride?
dimethyl(2H-pyran-4-yl)azanium chloride has a molecular weight of 161.63 g/mol, XLogP of -3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(2H-pyran-4-yl)azanium chloride is sourced from PubChem (CID 140542832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).