propane-1,2,3-triol;prop-2-enal;urea

C7H16N2O5 — CID 158092381

IUPACpropane-1,2,3-triol;prop-2-enal;urea
SMILESC=CC=O.NC(N)=O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H4O.CH4N2O/c4-1-3(6)2-5;1-2-3-4;2-1(3)4/h3-6H,1-2H2;2-3H,1H2;(H4,2,3,4)
InChIKeyFOGNJSDPFWHCIK-UHFFFAOYSA-N
MW208.21 g/mol
LogP-2.27
Rot. Bonds3

About propane-1,2,3-triol;prop-2-enal;urea

propane-1,2,3-triol;prop-2-enal;urea (PubChem CID 158092381) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is propane-1,2,3-triol;prop-2-enal;urea.

Molecular Properties

Compound Namepropane-1,2,3-triol;prop-2-enal;urea
PubChem CID158092381
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Namepropane-1,2,3-triol;prop-2-enal;urea
SMILESC=CC=O.NC(N)=O.OCC(O)CO
InChIInChI=1S/C3H8O3.C3H4O.CH4N2O/c4-1-3(6)2-5;1-2-3-4;2-1(3)4/h3-6H,1-2H2;2-3H,1H2;(H4,2,3,4)
InChIKeyFOGNJSDPFWHCIK-UHFFFAOYSA-N
XLogP-2.27
TPSA146.87 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;propane-1,2,3-triol;prop-2-enal
CID 158613098
propane-1,2,3-triol;urea;hydrate
CID 174420698
hexa-1,5-diene;propane-1,2,3-triol
CID 91872897
propane-1,3-diol;propane-1,2,3-triol;tris(prop-2-enoic acid)
CID 173421705
trihydroxy(hydroxymethyl)phosphanium;urea;chloride
CID 118387771
nonane-1,9-diol;bis(propane-1,2,3-triol);bis(prop-2-enoic acid)
CID 161436278
propane-1,2-diol;prop-2-enamide
CID 135223311
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;prop-2-enal;urea?
The IUPAC name of propane-1,2,3-triol;prop-2-enal;urea (CID 158092381) is propane-1,2,3-triol;prop-2-enal;urea.
What is the SMILES notation for propane-1,2,3-triol;prop-2-enal;urea?
The canonical SMILES for propane-1,2,3-triol;prop-2-enal;urea is C=CC=O.NC(N)=O.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;prop-2-enal;urea?
The InChIKey is FOGNJSDPFWHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.C3H4O.CH4N2O/c4-1-3(6)2-5;1-2-3-4;2-1(3)4/h3-6H,1-2H2;2-3H,1H2;(H4,2,3,4).
What are the key properties of propane-1,2,3-triol;prop-2-enal;urea?
propane-1,2,3-triol;prop-2-enal;urea has a molecular weight of 208.21 g/mol, XLogP of -2.27, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;prop-2-enal;urea is sourced from PubChem (CID 158092381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).