1-hydroxybut-3-en-2-ylazanium

C4H10NO+ — CID 74447086

IUPAC1-hydroxybut-3-en-2-ylazanium
SMILESC=CC([NH3+])CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2/p+1
InChIKeyRKBAYXYCMQLBCZ-UHFFFAOYSA-O
MW88.13 g/mol
LogP-1.22
Rot. Bonds2

About 1-hydroxybut-3-en-2-ylazanium

1-hydroxybut-3-en-2-ylazanium (PubChem CID 74447086) has the molecular formula C4H10NO+ and a molecular weight of 88.13 g/mol. Its IUPAC name is 1-hydroxybut-3-en-2-ylazanium.

Molecular Properties

Compound Name1-hydroxybut-3-en-2-ylazanium
PubChem CID74447086
Molecular FormulaC4H10NO+
Molecular Weight88.13 g/mol
Exact Mass88.08
IUPAC Name1-hydroxybut-3-en-2-ylazanium
SMILESC=CC([NH3+])CO
InChIInChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2/p+1
InChIKeyRKBAYXYCMQLBCZ-UHFFFAOYSA-O
XLogP-1.22
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
2-Aminobut-3-en-1-ol
CID 13247016
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

Frequently Asked Questions

What is the IUPAC name of 1-hydroxybut-3-en-2-ylazanium?
The IUPAC name of 1-hydroxybut-3-en-2-ylazanium (CID 74447086) is 1-hydroxybut-3-en-2-ylazanium.
What is the SMILES notation for 1-hydroxybut-3-en-2-ylazanium?
The canonical SMILES for 1-hydroxybut-3-en-2-ylazanium is C=CC([NH3+])CO.
What is the InChIKey of 1-hydroxybut-3-en-2-ylazanium?
The InChIKey is RKBAYXYCMQLBCZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2/p+1.
What are the key properties of 1-hydroxybut-3-en-2-ylazanium?
1-hydroxybut-3-en-2-ylazanium has a molecular weight of 88.13 g/mol, XLogP of -1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxybut-3-en-2-ylazanium is sourced from PubChem (CID 74447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).