tris(2-hydroxyethyl)-prop-2-enylazanium

C9H20NO3+ — CID 14533860

IUPACtris(2-hydroxyethyl)-prop-2-enylazanium
SMILESC=CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C9H20NO3/c1-2-3-10(4-7-11,5-8-12)6-9-13/h2,11-13H,1,3-9H2/q+1
InChIKeyNFZHXZQJSRVPRB-UHFFFAOYSA-N
MW190.26 g/mol
LogP-1.03
Rot. Bonds8

About tris(2-hydroxyethyl)-prop-2-enylazanium

tris(2-hydroxyethyl)-prop-2-enylazanium (PubChem CID 14533860) has the molecular formula C9H20NO3+ and a molecular weight of 190.26 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-prop-2-enylazanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-prop-2-enylazanium
PubChem CID14533860
Molecular FormulaC9H20NO3+
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Nametris(2-hydroxyethyl)-prop-2-enylazanium
SMILESC=CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C9H20NO3/c1-2-3-10(4-7-11,5-8-12)6-9-13/h2,11-13H,1,3-9H2/q+1
InChIKeyNFZHXZQJSRVPRB-UHFFFAOYSA-N
XLogP-1.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 tris(2-hydroxyethyl)-prop-2-enylazanium?
The IUPAC name of tris(2-hydroxyethyl)-prop-2-enylazanium (CID 14533860) is tris(2-hydroxyethyl)-prop-2-enylazanium.
What is the SMILES notation for tris(2-hydroxyethyl)-prop-2-enylazanium?
The canonical SMILES for tris(2-hydroxyethyl)-prop-2-enylazanium is C=CC[N+](CCO)(CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)-prop-2-enylazanium?
The InChIKey is NFZHXZQJSRVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3/c1-2-3-10(4-7-11,5-8-12)6-9-13/h2,11-13H,1,3-9H2/q+1.
What are the key properties of tris(2-hydroxyethyl)-prop-2-enylazanium?
tris(2-hydroxyethyl)-prop-2-enylazanium has a molecular weight of 190.26 g/mol, XLogP of -1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-prop-2-enylazanium is sourced from PubChem (CID 14533860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).