4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one

C9H15N2O3+ — CID 67845257

IUPAC4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
SMILESC=CC[N+]1(CC=C)C(=O)NC(O)C1O
InChIInChI=1S/C9H14N2O3/c1-3-5-11(6-4-2)8(13)7(12)10-9(11)14/h3-4,7-8,12-13H,1-2,5-6H2/p+1
InChIKeyZUNAUJJQNXGLNT-UHFFFAOYSA-O
MW199.23 g/mol
LogP-0.46
Rot. Bonds4

About 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one

4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one (PubChem CID 67845257) has the molecular formula C9H15N2O3+ and a molecular weight of 199.23 g/mol. Its IUPAC name is 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
PubChem CID67845257
Molecular FormulaC9H15N2O3+
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one
SMILESC=CC[N+]1(CC=C)C(=O)NC(O)C1O
InChIInChI=1S/C9H14N2O3/c1-3-5-11(6-4-2)8(13)7(12)10-9(11)14/h3-4,7-8,12-13H,1-2,5-6H2/p+1
InChIKeyZUNAUJJQNXGLNT-UHFFFAOYSA-O
XLogP-0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-4,5-dihydroxy-3-prop-2-enylimidazolidin-2-one
CID 13587803
4,5-Dihydroxy-1-prop-2-enylimidazolidin-2-one
CID 20228039
4,5-Dimethoxy-1-prop-2-enylimidazolidin-2-one
CID 20228040
1-(3-Hydroxyprop-2-enyl)imidazolidin-2-one
CID 67615615
5-Hydroxy-1-prop-2-enylimidazolidin-2-one
CID 69086054
1-(1-Hydroxyprop-2-enyl)imidazolidin-2-one
CID 69236445
1-(2-Hydroxyethyl)-3-prop-2-enylimidazolidin-2-one
CID 70185752
4,5-Dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
1-Prop-2-enylimidazolidine-4,5-diol
CID 174576757
1-[2-[2-Hydroxyethyl(prop-2-enyl)amino]ethyl]imidazolidin-2-one
CID 116301482
(3R,4S)-3,4-dihydroxy-N-prop-2-enylpyrrolidine-1-carboxamide
CID 130752290

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The IUPAC name of 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one (CID 67845257) is 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one.
What is the SMILES notation for 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The canonical SMILES for 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one is C=CC[N+]1(CC=C)C(=O)NC(O)C1O.
What is the InChIKey of 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
The InChIKey is ZUNAUJJQNXGLNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H14N2O3/c1-3-5-11(6-4-2)8(13)7(12)10-9(11)14/h3-4,7-8,12-13H,1-2,5-6H2/p+1.
What are the key properties of 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one?
4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one has a molecular weight of 199.23 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1,1-bis(prop-2-enyl)imidazolidin-1-ium-2-one is sourced from PubChem (CID 67845257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).