[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium

C10H20N2O3 — CID 88802613

IUPAC[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium
SMILESC=C(CCCN(CC)CC)C(=O)O[NH2+][O-]
InChIInChI=1S/C10H20N2O3/c1-4-12(5-2)8-6-7-9(3)10(13)15-11-14/h3-8,11H2,1-2H3
InChIKeyXCVZGDXLGMMRGQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds8

About [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium

[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium (PubChem CID 88802613) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium.

Molecular Properties

Compound Name[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium
PubChem CID88802613
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium
SMILESC=C(CCCN(CC)CC)C(=O)O[NH2+][O-]
InChIInChI=1S/C10H20N2O3/c1-4-12(5-2)8-6-7-9(3)10(13)15-11-14/h3-8,11H2,1-2H3
InChIKeyXCVZGDXLGMMRGQ-UHFFFAOYSA-N
XLogP0.18
TPSA69.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium?
The IUPAC name of [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium (CID 88802613) is [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium.
What is the SMILES notation for [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium?
The canonical SMILES for [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium is C=C(CCCN(CC)CC)C(=O)O[NH2+][O-].
What is the InChIKey of [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium?
The InChIKey is XCVZGDXLGMMRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-12(5-2)8-6-7-9(3)10(13)15-11-14/h3-8,11H2,1-2H3.
What are the key properties of [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium?
[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium has a molecular weight of 216.28 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium is sourced from PubChem (CID 88802613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).