3-(dimethylamino)prop-1-ene-1,2-diol

C5H11NO2 — CID 89182379

IUPAC3-(dimethylamino)prop-1-ene-1,2-diol
SMILESCN(C)CC(O)=CO
InChIInChI=1S/C5H11NO2/c1-6(2)3-5(8)4-7/h4,7-8H,3H2,1-2H3
InChIKeyZYTXNBOTSQTUHJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.51
Rot. Bonds2

About 3-(dimethylamino)prop-1-ene-1,2-diol

3-(dimethylamino)prop-1-ene-1,2-diol (PubChem CID 89182379) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-(dimethylamino)prop-1-ene-1,2-diol.

Molecular Properties

Compound Name3-(dimethylamino)prop-1-ene-1,2-diol
PubChem CID89182379
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-(dimethylamino)prop-1-ene-1,2-diol
SMILESCN(C)CC(O)=CO
InChIInChI=1S/C5H11NO2/c1-6(2)3-5(8)4-7/h4,7-8H,3H2,1-2H3
InChIKeyZYTXNBOTSQTUHJ-UHFFFAOYSA-N
XLogP0.51
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-3-fluoroprop-1-ene-1,2-diol
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dimethylaminomethanol;zinc
CID 87991931
carbanide;N,N,2-trimethylbut-2-en-1-amine;yttrium
CID 58133141
zinc;(E)-but-2-enedioic acid;bis(2-(dimethylamino)acetate)
CID 161312913
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
CID 13167145
3-(dimethylamino)prop-1-en-2-yl-methylidyneazanium
CID 163603355
(Z,2E)-2-ethylidene-N,N-dimethylpent-3-en-1-amine
CID 156713234
2-[(Z)-3-(dimethylamino)-2-hydroxyprop-1-enyl]-1,3-thiazole-4-carboxylic acid
CID 135709714
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
2-(dimethylamino)acetyl chloride
CID 7010344

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)prop-1-ene-1,2-diol?
The IUPAC name of 3-(dimethylamino)prop-1-ene-1,2-diol (CID 89182379) is 3-(dimethylamino)prop-1-ene-1,2-diol.
What is the SMILES notation for 3-(dimethylamino)prop-1-ene-1,2-diol?
The canonical SMILES for 3-(dimethylamino)prop-1-ene-1,2-diol is CN(C)CC(O)=CO.
What is the InChIKey of 3-(dimethylamino)prop-1-ene-1,2-diol?
The InChIKey is ZYTXNBOTSQTUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6(2)3-5(8)4-7/h4,7-8H,3H2,1-2H3.
What are the key properties of 3-(dimethylamino)prop-1-ene-1,2-diol?
3-(dimethylamino)prop-1-ene-1,2-diol has a molecular weight of 117.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)prop-1-ene-1,2-diol is sourced from PubChem (CID 89182379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).