2-aminobut-1-en-1-ol

C4H9NO — CID 154169149

IUPAC2-aminobut-1-en-1-ol
SMILESCCC(N)=CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h3,6H,2,5H2,1H3
InChIKeyGWRHYOBTKQFWLJ-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.75
Rot. Bonds1

About 2-aminobut-1-en-1-ol

2-aminobut-1-en-1-ol (PubChem CID 154169149) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-aminobut-1-en-1-ol.

Molecular Properties

Compound Name2-aminobut-1-en-1-ol
PubChem CID154169149
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-aminobut-1-en-1-ol
SMILESCCC(N)=CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h3,6H,2,5H2,1H3
InChIKeyGWRHYOBTKQFWLJ-UHFFFAOYSA-N
XLogP0.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.75
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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Related Compounds

(Z)-2-aminobut-1-en-1-ol
CID 20465493
(Z)-2-aminoprop-1-en-1-ol
CID 20580275
3-Aminobut-3-en-1-ol
CID 22600652
2-Aminoprop-1-en-1-ol
CID 72389418
(E)-2-aminoprop-1-en-1-ol
CID 141880439
Methanol;penta-1,4-dien-2-amine
CID 143017007
(E)-2-amino-3-methylbut-1-en-1-ol
CID 143140668
(Z)-2-amino-3-methylpent-1-en-1-ol
CID 143296127
(Z)-2-(methylamino)but-1-en-1-ol
CID 144223633
(Z)-2-aminopent-1-en-1-ol
CID 147976463
2-Aminopent-1-en-1-ol
CID 150603438
(1Z,4E)-5-aminohexa-1,4-dien-1-ol
CID 156029635

Frequently Asked Questions

What is the IUPAC name of 2-aminobut-1-en-1-ol?
The IUPAC name of 2-aminobut-1-en-1-ol (CID 154169149) is 2-aminobut-1-en-1-ol.
What is the SMILES notation for 2-aminobut-1-en-1-ol?
The canonical SMILES for 2-aminobut-1-en-1-ol is CCC(N)=CO.
What is the InChIKey of 2-aminobut-1-en-1-ol?
The InChIKey is GWRHYOBTKQFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-4(5)3-6/h3,6H,2,5H2,1H3.
What are the key properties of 2-aminobut-1-en-1-ol?
2-aminobut-1-en-1-ol has a molecular weight of 87.12 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobut-1-en-1-ol is sourced from PubChem (CID 154169149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).