bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium

C12H24NO4+ — CID 10221374

IUPACbis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(O)CO)CC(O)CO
InChIInChI=1S/C12H24NO4/c1-3-5-13(6-4-2,7-11(16)9-14)8-12(17)10-15/h3-4,11-12,14-17H,1-2,5-10H2/q+1
InChIKeyKEKHVPIWIHZZAO-UHFFFAOYSA-N
MW246.33 g/mol
LogP-1.12
Rot. Bonds10

About bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium

bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium (PubChem CID 10221374) has the molecular formula C12H24NO4+ and a molecular weight of 246.33 g/mol. Its IUPAC name is bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium
PubChem CID10221374
Molecular FormulaC12H24NO4+
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Namebis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(O)CO)CC(O)CO
InChIInChI=1S/C12H24NO4/c1-3-5-13(6-4-2,7-11(16)9-14)8-12(17)10-15/h3-4,11-12,14-17H,1-2,5-10H2/q+1
InChIKeyKEKHVPIWIHZZAO-UHFFFAOYSA-N
XLogP-1.12
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium (CID 10221374) is bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC(O)CO)CC(O)CO.
What is the InChIKey of bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium?
The InChIKey is KEKHVPIWIHZZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO4/c1-3-5-13(6-4-2,7-11(16)9-14)8-12(17)10-15/h3-4,11-12,14-17H,1-2,5-10H2/q+1.
What are the key properties of bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium?
bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium has a molecular weight of 246.33 g/mol, XLogP of -1.12, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dihydroxypropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 10221374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).