(E)-2-(1-aminoethenyl)but-2-en-1-ol

C6H11NO — CID 137473869

IUPAC(E)-2-(1-aminoethenyl)but-2-en-1-ol
SMILESC=C(N)/C(=C\C)CO
InChIInChI=1S/C6H11NO/c1-3-6(4-8)5(2)7/h3,8H,2,4,7H2,1H3/b6-3-
InChIKeyVUPWGOYKPBTLHQ-UTCJRWHESA-N
MW113.16 g/mol
LogP0.40
Rot. Bonds2

About (E)-2-(1-aminoethenyl)but-2-en-1-ol

(E)-2-(1-aminoethenyl)but-2-en-1-ol (PubChem CID 137473869) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-2-(1-aminoethenyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(1-aminoethenyl)but-2-en-1-ol
PubChem CID137473869
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-2-(1-aminoethenyl)but-2-en-1-ol
SMILESC=C(N)/C(=C\C)CO
InChIInChI=1S/C6H11NO/c1-3-6(4-8)5(2)7/h3,8H,2,4,7H2,1H3/b6-3-
InChIKeyVUPWGOYKPBTLHQ-UTCJRWHESA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-aminoethenyl)but-2-en-1-ol?
The IUPAC name of (E)-2-(1-aminoethenyl)but-2-en-1-ol (CID 137473869) is (E)-2-(1-aminoethenyl)but-2-en-1-ol.
What is the SMILES notation for (E)-2-(1-aminoethenyl)but-2-en-1-ol?
The canonical SMILES for (E)-2-(1-aminoethenyl)but-2-en-1-ol is C=C(N)/C(=C\C)CO.
What is the InChIKey of (E)-2-(1-aminoethenyl)but-2-en-1-ol?
The InChIKey is VUPWGOYKPBTLHQ-UTCJRWHESA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(4-8)5(2)7/h3,8H,2,4,7H2,1H3/b6-3-.
What are the key properties of (E)-2-(1-aminoethenyl)but-2-en-1-ol?
(E)-2-(1-aminoethenyl)but-2-en-1-ol has a molecular weight of 113.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-aminoethenyl)but-2-en-1-ol is sourced from PubChem (CID 137473869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).