2-(dimethylamino)ethenol

C4H9NO — CID 76835674

IUPAC2-(dimethylamino)ethenol
SMILESCN(C)C=CO
InChIInChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3
InChIKeyJXZUDCIMRVGZHD-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.58
Rot. Bonds1

About 2-(dimethylamino)ethenol

2-(dimethylamino)ethenol (PubChem CID 76835674) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-(dimethylamino)ethenol.

Molecular Properties

Compound Name2-(dimethylamino)ethenol
PubChem CID76835674
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-(dimethylamino)ethenol
SMILESCN(C)C=CO
InChIInChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3
InChIKeyJXZUDCIMRVGZHD-UHFFFAOYSA-N
XLogP0.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethenol 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

2-chloro-N,N-dimethylethenamine
CID 54345185
bis(N,N-dimethylprop-1-en-1-amine);methanamine
CID 175199279
1,7-bis(dimethylamino)hepta-1,6-diene-3,4,5-trione
CID 57279560
(1E,3E)-N,N-dimethylpenta-1,3-dien-1-amine
CID 15260182
[(E)-2-(dimethylamino)ethenyl]thiourea
CID 156593609
3-ethyl-N,N-dimethylpenta-1,3-dien-1-amine
CID 123262723
5-(dimethylamino)pent-4-en-1-ol
CID 123150566
tris(2-hydroxyethenethiolate);methyltin(3+)
CID 173231168
CID 175333596
CID 175333596
(Z)-N-ethenyl-N',N'-dimethylethene-1,2-diamine
CID 139522049
(E)-N,N,N',N'-tetramethylprop-1-ene-1,3-diamine
CID 6444340
(1E,7E)-N,N,N',N'-tetramethylocta-1,7-diene-1,8-diamine
CID 141423827

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethenol?
The IUPAC name of 2-(dimethylamino)ethenol (CID 76835674) is 2-(dimethylamino)ethenol.
What is the SMILES notation for 2-(dimethylamino)ethenol?
The canonical SMILES for 2-(dimethylamino)ethenol is CN(C)C=CO.
What is the InChIKey of 2-(dimethylamino)ethenol?
The InChIKey is JXZUDCIMRVGZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-5(2)3-4-6/h3-4,6H,1-2H3.
What are the key properties of 2-(dimethylamino)ethenol?
2-(dimethylamino)ethenol has a molecular weight of 87.12 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethenol is sourced from PubChem (CID 76835674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).