(Z)-2-but-1-en-2-yloxyethenamine

C6H11NO — CID 129289643

IUPAC(Z)-2-but-1-en-2-yloxyethenamine
SMILESC=C(CC)O/C=C\N
InChIInChI=1S/C6H11NO/c1-3-6(2)8-5-4-7/h4-5H,2-3,7H2,1H3/b5-4-
InChIKeyZZLFTGCRJBESIL-PLNGDYQASA-N
MW113.16 g/mol
LogP1.36
Rot. Bonds3

About (Z)-2-but-1-en-2-yloxyethenamine

(Z)-2-but-1-en-2-yloxyethenamine (PubChem CID 129289643) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-2-but-1-en-2-yloxyethenamine.

Molecular Properties

Compound Name(Z)-2-but-1-en-2-yloxyethenamine
PubChem CID129289643
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-2-but-1-en-2-yloxyethenamine
SMILESC=C(CC)O/C=C\N
InChIInChI=1S/C6H11NO/c1-3-6(2)8-5-4-7/h4-5H,2-3,7H2,1H3/b5-4-
InChIKeyZZLFTGCRJBESIL-PLNGDYQASA-N
XLogP1.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-2-but-1-en-2-yloxyethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-but-1-en-2-yloxyethenamine?
The IUPAC name of (Z)-2-but-1-en-2-yloxyethenamine (CID 129289643) is (Z)-2-but-1-en-2-yloxyethenamine.
What is the SMILES notation for (Z)-2-but-1-en-2-yloxyethenamine?
The canonical SMILES for (Z)-2-but-1-en-2-yloxyethenamine is C=C(CC)O/C=C\N.
What is the InChIKey of (Z)-2-but-1-en-2-yloxyethenamine?
The InChIKey is ZZLFTGCRJBESIL-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(2)8-5-4-7/h4-5H,2-3,7H2,1H3/b5-4-.
What are the key properties of (Z)-2-but-1-en-2-yloxyethenamine?
(Z)-2-but-1-en-2-yloxyethenamine has a molecular weight of 113.16 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-but-1-en-2-yloxyethenamine is sourced from PubChem (CID 129289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).