2-(prop-2-enoylamino)ethylazanium

C5H11N2O+ — CID 51410470

IUPAC2-(prop-2-enoylamino)ethylazanium
SMILESC=CC(=O)NCC[NH3+]
InChIInChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h2H,1,3-4,6H2,(H,7,8)/p+1
InChIKeyHXJGFDIZSMWOGY-UHFFFAOYSA-O
MW115.16 g/mol
LogP-1.47
Rot. Bonds3

About 2-(prop-2-enoylamino)ethylazanium

2-(prop-2-enoylamino)ethylazanium (PubChem CID 51410470) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethylazanium.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethylazanium
PubChem CID51410470
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name2-(prop-2-enoylamino)ethylazanium
SMILESC=CC(=O)NCC[NH3+]
InChIInChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h2H,1,3-4,6H2,(H,7,8)/p+1
InChIKeyHXJGFDIZSMWOGY-UHFFFAOYSA-O
XLogP-1.47
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethylazanium?
The IUPAC name of 2-(prop-2-enoylamino)ethylazanium (CID 51410470) is 2-(prop-2-enoylamino)ethylazanium.
What is the SMILES notation for 2-(prop-2-enoylamino)ethylazanium?
The canonical SMILES for 2-(prop-2-enoylamino)ethylazanium is C=CC(=O)NCC[NH3+].
What is the InChIKey of 2-(prop-2-enoylamino)ethylazanium?
The InChIKey is HXJGFDIZSMWOGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10N2O/c1-2-5(8)7-4-3-6/h2H,1,3-4,6H2,(H,7,8)/p+1.
What are the key properties of 2-(prop-2-enoylamino)ethylazanium?
2-(prop-2-enoylamino)ethylazanium has a molecular weight of 115.16 g/mol, XLogP of -1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethylazanium is sourced from PubChem (CID 51410470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).