1-aminobut-3-en-1-ol

C4H9NO — CID 23342193

IUPAC1-aminobut-3-en-1-ol
SMILESC=CCC(N)O
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2,4,6H,1,3,5H2
InChIKeyRZFUADXFZIPVKG-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.16
Rot. Bonds2

About 1-aminobut-3-en-1-ol

1-aminobut-3-en-1-ol (PubChem CID 23342193) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 1-aminobut-3-en-1-ol.

Molecular Properties

Compound Name1-aminobut-3-en-1-ol
PubChem CID23342193
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name1-aminobut-3-en-1-ol
SMILESC=CCC(N)O
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2,4,6H,1,3,5H2
InChIKeyRZFUADXFZIPVKG-UHFFFAOYSA-N
XLogP-0.16
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 ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-Aminobut-3-en-1-ol--hydrogen chloride (1/1)
CID 44891229
(R)-2-Aminobut-3-en-1-ol
CID 5702635
AC1MC1CR
CID 2734533
1-Amino-4-penten-2-ol
CID 10931378
[(2S)-1-hydroxybut-3-en-2-yl]azanium chloride
CID 11073411
2-Aminobut-3-en-1-ol
CID 13247016
(1-Hydroxy-2-methylpent-3-enyl)azanium
CID 163674756
1-Hydroxybut-3-en-2-ylazanium
CID 74447086
[(2R)-1-hydroxybut-3-en-2-yl]azanium chloride
CID 11378484
2-Aminobut-3-EN-1-OL hydrochloride
CID 13247017
(S)-2-aminobut-3-en-1-ol hydrochloride
CID 16007024
(E)-4-aminobut-1-en-1-ol
CID 19018084

Frequently Asked Questions

What is the IUPAC name of 1-aminobut-3-en-1-ol?
The IUPAC name of 1-aminobut-3-en-1-ol (CID 23342193) is 1-aminobut-3-en-1-ol.
What is the SMILES notation for 1-aminobut-3-en-1-ol?
The canonical SMILES for 1-aminobut-3-en-1-ol is C=CCC(N)O.
What is the InChIKey of 1-aminobut-3-en-1-ol?
The InChIKey is RZFUADXFZIPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-3-4(5)6/h2,4,6H,1,3,5H2.
What are the key properties of 1-aminobut-3-en-1-ol?
1-aminobut-3-en-1-ol has a molecular weight of 87.12 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminobut-3-en-1-ol is sourced from PubChem (CID 23342193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).