(5-methoxy-2,5-dioxopentyl)azanium chloride

C6H12ClNO3 — CID 3036828

IUPAC(5-methoxy-2,5-dioxopentyl)azanium chloride
SMILESCOC(=O)CCC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
InChIKeyUJYSYPVQHFNBML-UHFFFAOYSA-N
MW181.62 g/mol
LogP-4.25
Rot. Bonds4

About (5-methoxy-2,5-dioxopentyl)azanium chloride

(5-methoxy-2,5-dioxopentyl)azanium chloride (PubChem CID 3036828) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is (5-methoxy-2,5-dioxopentyl)azanium chloride.

Molecular Properties

Compound Name(5-methoxy-2,5-dioxopentyl)azanium chloride
PubChem CID3036828
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name(5-methoxy-2,5-dioxopentyl)azanium chloride
SMILESCOC(=O)CCC(=O)C[NH3+].[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
InChIKeyUJYSYPVQHFNBML-UHFFFAOYSA-N
XLogP-4.25
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-4.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,5-dioxopentyl)azanium chloride?
The IUPAC name of (5-methoxy-2,5-dioxopentyl)azanium chloride (CID 3036828) is (5-methoxy-2,5-dioxopentyl)azanium chloride.
What is the SMILES notation for (5-methoxy-2,5-dioxopentyl)azanium chloride?
The canonical SMILES for (5-methoxy-2,5-dioxopentyl)azanium chloride is COC(=O)CCC(=O)C[NH3+].[Cl-].
What is the InChIKey of (5-methoxy-2,5-dioxopentyl)azanium chloride?
The InChIKey is UJYSYPVQHFNBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H.
What are the key properties of (5-methoxy-2,5-dioxopentyl)azanium chloride?
(5-methoxy-2,5-dioxopentyl)azanium chloride has a molecular weight of 181.62 g/mol, XLogP of -4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,5-dioxopentyl)azanium chloride is sourced from PubChem (CID 3036828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).