2-hydroxyprop-2-enyl(dimethyl)azanium

C5H12NO+ — CID 148919411

IUPAC2-hydroxyprop-2-enyl(dimethyl)azanium
SMILESC=C(O)C[NH+](C)C
InChIInChI=1S/C5H11NO/c1-5(7)4-6(2)3/h7H,1,4H2,2-3H3/p+1
InChIKeyGUTXQVBXXNUUQK-UHFFFAOYSA-O
MW102.16 g/mol
LogP-0.80
Rot. Bonds2

About 2-hydroxyprop-2-enyl(dimethyl)azanium

2-hydroxyprop-2-enyl(dimethyl)azanium (PubChem CID 148919411) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl(dimethyl)azanium.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl(dimethyl)azanium
PubChem CID148919411
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name2-hydroxyprop-2-enyl(dimethyl)azanium
SMILESC=C(O)C[NH+](C)C
InChIInChI=1S/C5H11NO/c1-5(7)4-6(2)3/h7H,1,4H2,2-3H3/p+1
InChIKeyGUTXQVBXXNUUQK-UHFFFAOYSA-O
XLogP-0.80
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88118116
CID 88118116
CID 88457007
CID 88457007
CID 88457008
CID 88457008
CID 88482880
CID 88482880
CID 88761520
CID 88761520
CID 89344359
CID 89344359
CID 122548912
CID 122548912
CID 126611867
CID 126611867
CID 139514097
CID 139514097
CID 162144902
CID 162144902

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl(dimethyl)azanium?
The IUPAC name of 2-hydroxyprop-2-enyl(dimethyl)azanium (CID 148919411) is 2-hydroxyprop-2-enyl(dimethyl)azanium.
What is the SMILES notation for 2-hydroxyprop-2-enyl(dimethyl)azanium?
The canonical SMILES for 2-hydroxyprop-2-enyl(dimethyl)azanium is C=C(O)C[NH+](C)C.
What is the InChIKey of 2-hydroxyprop-2-enyl(dimethyl)azanium?
The InChIKey is GUTXQVBXXNUUQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO/c1-5(7)4-6(2)3/h7H,1,4H2,2-3H3/p+1.
What are the key properties of 2-hydroxyprop-2-enyl(dimethyl)azanium?
2-hydroxyprop-2-enyl(dimethyl)azanium has a molecular weight of 102.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl(dimethyl)azanium is sourced from PubChem (CID 148919411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).