4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one

C9H14N2O3 — CID 67864751

IUPAC4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
SMILESC=CCN1CC(O)(O)N(CC=C)C1=O
InChIInChI=1S/C9H14N2O3/c1-3-5-10-7-9(13,14)11(6-4-2)8(10)12/h3-4,13-14H,1-2,5-7H2
InChIKeyWTVUALLJAOIYHL-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.27
Rot. Bonds4

About 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one

4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one (PubChem CID 67864751) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
PubChem CID67864751
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
SMILESC=CCN1CC(O)(O)N(CC=C)C1=O
InChIInChI=1S/C9H14N2O3/c1-3-5-10-7-9(13,14)11(6-4-2)8(10)12/h3-4,13-14H,1-2,5-7H2
InChIKeyWTVUALLJAOIYHL-UHFFFAOYSA-N
XLogP-0.27
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one?
The IUPAC name of 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one (CID 67864751) is 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one.
What is the SMILES notation for 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one?
The canonical SMILES for 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one is C=CCN1CC(O)(O)N(CC=C)C1=O.
What is the InChIKey of 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one?
The InChIKey is WTVUALLJAOIYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-5-10-7-9(13,14)11(6-4-2)8(10)12/h3-4,13-14H,1-2,5-7H2.
What are the key properties of 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one?
4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one has a molecular weight of 198.22 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one is sourced from PubChem (CID 67864751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).