1-(dimethylamino)prop-2-en-1-ol

C5H11NO — CID 87523249

IUPAC1-(dimethylamino)prop-2-en-1-ol
SMILESC=CC(O)N(C)C
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4-5,7H,1H2,2-3H3
InChIKeyKFFIWZCXHOWTNC-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.05
Rot. Bonds2

About 1-(dimethylamino)prop-2-en-1-ol

1-(dimethylamino)prop-2-en-1-ol (PubChem CID 87523249) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-(dimethylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(dimethylamino)prop-2-en-1-ol
PubChem CID87523249
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-(dimethylamino)prop-2-en-1-ol
SMILESC=CC(O)N(C)C
InChIInChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4-5,7H,1H2,2-3H3
InChIKeyKFFIWZCXHOWTNC-UHFFFAOYSA-N
XLogP0.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(dimethylamino)prop-2-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

(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
CID 15882620
N,N-dimethyl-1-silylprop-2-en-1-amine
CID 173042969
N,N-dimethylbut-3-en-2-amine
CID 13459667
(2S)-2-(dimethylamino)but-3-en-1-ol
CID 138983091
1-chloro-N,N-dimethylprop-2-en-1-amine
CID 53400738
N,N,5-trimethylhexa-1,4-dien-3-amine
CID 126639086
1-[N-(1-hydroxyprop-2-enyl)-4-methylanilino]prop-2-en-1-ol
CID 66614232
methane;methanol;3-methylbut-1-ene;2-methylpropane
CID 160799549
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
3-methylbut-1-ene;hydrobromide
CID 158395600

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)prop-2-en-1-ol?
The IUPAC name of 1-(dimethylamino)prop-2-en-1-ol (CID 87523249) is 1-(dimethylamino)prop-2-en-1-ol.
What is the SMILES notation for 1-(dimethylamino)prop-2-en-1-ol?
The canonical SMILES for 1-(dimethylamino)prop-2-en-1-ol is C=CC(O)N(C)C.
What is the InChIKey of 1-(dimethylamino)prop-2-en-1-ol?
The InChIKey is KFFIWZCXHOWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4-5,7H,1H2,2-3H3.
What are the key properties of 1-(dimethylamino)prop-2-en-1-ol?
1-(dimethylamino)prop-2-en-1-ol has a molecular weight of 101.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)prop-2-en-1-ol is sourced from PubChem (CID 87523249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).