2-aminobut-3-en-1-ol

C4H9NO — CID 13247016

IUPAC2-aminobut-3-en-1-ol
SMILESC=CC(N)CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2
InChIKeyRKBAYXYCMQLBCZ-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.51
Rot. Bonds2

About 2-aminobut-3-en-1-ol

2-aminobut-3-en-1-ol (PubChem CID 13247016) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-aminobut-3-en-1-ol.

Molecular Properties

Compound Name2-aminobut-3-en-1-ol
PubChem CID13247016
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-aminobut-3-en-1-ol
SMILESC=CC(N)CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2
InChIKeyRKBAYXYCMQLBCZ-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminobut-3-en-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-aminopent-4-en-1-ol
CID 55265696
(2S)-2-aminopent-4-en-1-ol
CID 11194299
(2R)-2-Aminobut-3-en-1-ol--hydrogen chloride (1/1)
CID 44891229
2-Aminopent-4-en-1-ol hydrochloride
CID 75480794
(R)-2-Aminobut-3-en-1-ol
CID 5702635
AC1MC1CR
CID 2734533
[(2S)-1-hydroxybut-3-en-2-yl]azanium chloride
CID 11073411
3-Aminopent-4-en-1-ol
CID 15533288
2-Amino-3-fluorobut-3-en-1-ol
CID 169181611
2-Aminopent-4-en-1-ol
CID 20064163
(R)-2-Aminopent-4-en-1-ol hydrochloride
CID 55265695
1-Hydroxybut-3-en-2-ylazanium
CID 74447086

Frequently Asked Questions

What is the IUPAC name of 2-aminobut-3-en-1-ol?
The IUPAC name of 2-aminobut-3-en-1-ol (CID 13247016) is 2-aminobut-3-en-1-ol.
What is the SMILES notation for 2-aminobut-3-en-1-ol?
The canonical SMILES for 2-aminobut-3-en-1-ol is C=CC(N)CO.
What is the InChIKey of 2-aminobut-3-en-1-ol?
The InChIKey is RKBAYXYCMQLBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2.
What are the key properties of 2-aminobut-3-en-1-ol?
2-aminobut-3-en-1-ol has a molecular weight of 87.12 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobut-3-en-1-ol is sourced from PubChem (CID 13247016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).