(ethoxy-ethyl-prop-2-enylazaniumyl)formate

C8H15NO3 — CID 87887809

IUPAC(ethoxy-ethyl-prop-2-enylazaniumyl)formate
SMILESC=CC[N+](CC)(OCC)C(=O)[O-]
InChIInChI=1S/C8H15NO3/c1-4-7-9(5-2,8(10)11)12-6-3/h4H,1,5-7H2,2-3H3
InChIKeyJFQZNSFQTHJWKA-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.30
Rot. Bonds5

About (ethoxy-ethyl-prop-2-enylazaniumyl)formate

(ethoxy-ethyl-prop-2-enylazaniumyl)formate (PubChem CID 87887809) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (ethoxy-ethyl-prop-2-enylazaniumyl)formate.

Molecular Properties

Compound Name(ethoxy-ethyl-prop-2-enylazaniumyl)formate
PubChem CID87887809
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(ethoxy-ethyl-prop-2-enylazaniumyl)formate
SMILESC=CC[N+](CC)(OCC)C(=O)[O-]
InChIInChI=1S/C8H15NO3/c1-4-7-9(5-2,8(10)11)12-6-3/h4H,1,5-7H2,2-3H3
InChIKeyJFQZNSFQTHJWKA-UHFFFAOYSA-N
XLogP0.30
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (ethoxy-ethyl-prop-2-enylazaniumyl)formate?
The IUPAC name of (ethoxy-ethyl-prop-2-enylazaniumyl)formate (CID 87887809) is (ethoxy-ethyl-prop-2-enylazaniumyl)formate.
What is the SMILES notation for (ethoxy-ethyl-prop-2-enylazaniumyl)formate?
The canonical SMILES for (ethoxy-ethyl-prop-2-enylazaniumyl)formate is C=CC[N+](CC)(OCC)C(=O)[O-].
What is the InChIKey of (ethoxy-ethyl-prop-2-enylazaniumyl)formate?
The InChIKey is JFQZNSFQTHJWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7-9(5-2,8(10)11)12-6-3/h4H,1,5-7H2,2-3H3.
What are the key properties of (ethoxy-ethyl-prop-2-enylazaniumyl)formate?
(ethoxy-ethyl-prop-2-enylazaniumyl)formate has a molecular weight of 173.21 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethoxy-ethyl-prop-2-enylazaniumyl)formate is sourced from PubChem (CID 87887809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).