(E)-4-aminobut-1-en-1-ol

C4H9NO — CID 19018084

IUPAC(E)-4-aminobut-1-en-1-ol
SMILESNCC/C=C/O
InChIInChI=1S/C4H9NO/c5-3-1-2-4-6/h2,4,6H,1,3,5H2/b4-2+
InChIKeyDKXACBCCPAYWES-DUXPYHPUSA-N
MW87.12 g/mol
LogP0.41
Rot. Bonds2

About (E)-4-aminobut-1-en-1-ol

(E)-4-aminobut-1-en-1-ol (PubChem CID 19018084) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E)-4-aminobut-1-en-1-ol.

Molecular Properties

Compound Name(E)-4-aminobut-1-en-1-ol
PubChem CID19018084
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E)-4-aminobut-1-en-1-ol
SMILESNCC/C=C/O
InChIInChI=1S/C4H9NO/c5-3-1-2-4-6/h2,4,6H,1,3,5H2/b4-2+
InChIKeyDKXACBCCPAYWES-DUXPYHPUSA-N
XLogP0.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-aminobut-1-en-1-ol?
The IUPAC name of (E)-4-aminobut-1-en-1-ol (CID 19018084) is (E)-4-aminobut-1-en-1-ol.
What is the SMILES notation for (E)-4-aminobut-1-en-1-ol?
The canonical SMILES for (E)-4-aminobut-1-en-1-ol is NCC/C=C/O.
What is the InChIKey of (E)-4-aminobut-1-en-1-ol?
The InChIKey is DKXACBCCPAYWES-DUXPYHPUSA-N. The full InChI is InChI=1S/C4H9NO/c5-3-1-2-4-6/h2,4,6H,1,3,5H2/b4-2+.
What are the key properties of (E)-4-aminobut-1-en-1-ol?
(E)-4-aminobut-1-en-1-ol has a molecular weight of 87.12 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-aminobut-1-en-1-ol is sourced from PubChem (CID 19018084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).