but-2-enyl-tris(2-hydroxyethyl)azanium

C10H22NO3+ — CID 57018533

IUPACbut-2-enyl-tris(2-hydroxyethyl)azanium
SMILESCC=CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C10H22NO3/c1-2-3-4-11(5-8-12,6-9-13)7-10-14/h2-3,12-14H,4-10H2,1H3/q+1
InChIKeyBRZVXGMUFKLUNK-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.64
Rot. Bonds8

About but-2-enyl-tris(2-hydroxyethyl)azanium

but-2-enyl-tris(2-hydroxyethyl)azanium (PubChem CID 57018533) has the molecular formula C10H22NO3+ and a molecular weight of 204.29 g/mol. Its IUPAC name is but-2-enyl-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namebut-2-enyl-tris(2-hydroxyethyl)azanium
PubChem CID57018533
Molecular FormulaC10H22NO3+
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Namebut-2-enyl-tris(2-hydroxyethyl)azanium
SMILESCC=CC[N+](CCO)(CCO)CCO
InChIInChI=1S/C10H22NO3/c1-2-3-4-11(5-8-12,6-9-13)7-10-14/h2-3,12-14H,4-10H2,1H3/q+1
InChIKeyBRZVXGMUFKLUNK-UHFFFAOYSA-N
XLogP-0.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.64
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 but-2-enyl-tris(2-hydroxyethyl)azanium?
The IUPAC name of but-2-enyl-tris(2-hydroxyethyl)azanium (CID 57018533) is but-2-enyl-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for but-2-enyl-tris(2-hydroxyethyl)azanium?
The canonical SMILES for but-2-enyl-tris(2-hydroxyethyl)azanium is CC=CC[N+](CCO)(CCO)CCO.
What is the InChIKey of but-2-enyl-tris(2-hydroxyethyl)azanium?
The InChIKey is BRZVXGMUFKLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3/c1-2-3-4-11(5-8-12,6-9-13)7-10-14/h2-3,12-14H,4-10H2,1H3/q+1.
What are the key properties of but-2-enyl-tris(2-hydroxyethyl)azanium?
but-2-enyl-tris(2-hydroxyethyl)azanium has a molecular weight of 204.29 g/mol, XLogP of -0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 57018533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).