1-prop-2-enylimidazolidine-4,5-diol

C6H12N2O2 — CID 174576757

IUPAC1-prop-2-enylimidazolidine-4,5-diol
SMILESC=CCN1CNC(O)C1O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-4-7-5(9)6(8)10/h2,5-7,9-10H,1,3-4H2
InChIKeySLJZTGLGDIAIQL-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.33
Rot. Bonds2

About 1-prop-2-enylimidazolidine-4,5-diol

1-prop-2-enylimidazolidine-4,5-diol (PubChem CID 174576757) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-prop-2-enylimidazolidine-4,5-diol.

Molecular Properties

Compound Name1-prop-2-enylimidazolidine-4,5-diol
PubChem CID174576757
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name1-prop-2-enylimidazolidine-4,5-diol
SMILESC=CCN1CNC(O)C1O
InChIInChI=1S/C6H12N2O2/c1-2-3-8-4-7-5(9)6(8)10/h2,5-7,9-10H,1,3-4H2
InChIKeySLJZTGLGDIAIQL-UHFFFAOYSA-N
XLogP-1.33
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 20228039
CID 20228039
CID 67845257
CID 67845257
CID 69086054
CID 69086054
CID 70387904
CID 70387904
CID 70387906
CID 70387906

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylimidazolidine-4,5-diol?
The IUPAC name of 1-prop-2-enylimidazolidine-4,5-diol (CID 174576757) is 1-prop-2-enylimidazolidine-4,5-diol.
What is the SMILES notation for 1-prop-2-enylimidazolidine-4,5-diol?
The canonical SMILES for 1-prop-2-enylimidazolidine-4,5-diol is C=CCN1CNC(O)C1O.
What is the InChIKey of 1-prop-2-enylimidazolidine-4,5-diol?
The InChIKey is SLJZTGLGDIAIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-3-8-4-7-5(9)6(8)10/h2,5-7,9-10H,1,3-4H2.
What are the key properties of 1-prop-2-enylimidazolidine-4,5-diol?
1-prop-2-enylimidazolidine-4,5-diol has a molecular weight of 144.17 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylimidazolidine-4,5-diol is sourced from PubChem (CID 174576757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).