propane-1,2-diol;prop-2-enamide

C6H13NO3 — CID 135223311

IUPACpropane-1,2-diol;prop-2-enamide
SMILESC=CC(N)=O.CC(O)CO
InChIInChI=1S/C3H5NO.C3H8O2/c1-2-3(4)5;1-3(5)2-4/h2H,1H2,(H2,4,5);3-5H,2H2,1H3
InChIKeyARNYGFKDEUFDHV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.98
Rot. Bonds2

About propane-1,2-diol;prop-2-enamide

propane-1,2-diol;prop-2-enamide (PubChem CID 135223311) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is propane-1,2-diol;prop-2-enamide.

Molecular Properties

Compound Namepropane-1,2-diol;prop-2-enamide
PubChem CID135223311
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namepropane-1,2-diol;prop-2-enamide
SMILESC=CC(N)=O.CC(O)CO
InChIInChI=1S/C3H5NO.C3H8O2/c1-2-3(4)5;1-3(5)2-4/h2H,1H2,(H2,4,5);3-5H,2H2,1H3
InChIKeyARNYGFKDEUFDHV-UHFFFAOYSA-N
XLogP-0.98
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze propane-1,2-diol;prop-2-enamide 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-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-2-enamide)
CID 174995631
bis(4-amino-4-oxobut-2-enoic acid);propane-1,2-diol
CID 173054168
2-hydroxypropyl(trimethyl)azanium;prop-2-enamide;chloride
CID 160609896
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
propane-1,2-diol;sulfanyl prop-2-enoate
CID 159132920
CID 172708986
CID 172708986
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
hexanediamide;propane-1,2-diol
CID 175159738
acetamide;prop-2-enamide
CID 158566181
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
methanamine;prop-2-enamide;hydrate
CID 174696935
3-methylbutanoic acid;prop-2-enamide
CID 146306740

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;prop-2-enamide?
The IUPAC name of propane-1,2-diol;prop-2-enamide (CID 135223311) is propane-1,2-diol;prop-2-enamide.
What is the SMILES notation for propane-1,2-diol;prop-2-enamide?
The canonical SMILES for propane-1,2-diol;prop-2-enamide is C=CC(N)=O.CC(O)CO.
What is the InChIKey of propane-1,2-diol;prop-2-enamide?
The InChIKey is ARNYGFKDEUFDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.C3H8O2/c1-2-3(4)5;1-3(5)2-4/h2H,1H2,(H2,4,5);3-5H,2H2,1H3.
What are the key properties of propane-1,2-diol;prop-2-enamide?
propane-1,2-diol;prop-2-enamide has a molecular weight of 147.17 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;prop-2-enamide is sourced from PubChem (CID 135223311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).