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

C9H14N2O2 — CID 67865480

IUPAC5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one
SMILESC=CCN1CN(CC=C)C(O)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-10-7-11(6-4-2)9(13)8(10)12/h3-4,8,12H,1-2,5-7H2
InChIKeyGKVOAYHQZRPYSN-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.22
Rot. Bonds4

About 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one

5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one (PubChem CID 67865480) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one
PubChem CID67865480
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one
SMILESC=CCN1CN(CC=C)C(O)C1=O
InChIInChI=1S/C9H14N2O2/c1-3-5-10-7-11(6-4-2)9(13)8(10)12/h3-4,8,12H,1-2,5-7H2
InChIKeyGKVOAYHQZRPYSN-UHFFFAOYSA-N
XLogP-0.22
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one?
The IUPAC name of 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one (CID 67865480) is 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one.
What is the SMILES notation for 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one?
The canonical SMILES for 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one is C=CCN1CN(CC=C)C(O)C1=O.
What is the InChIKey of 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one?
The InChIKey is GKVOAYHQZRPYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-10-7-11(6-4-2)9(13)8(10)12/h3-4,8,12H,1-2,5-7H2.
What are the key properties of 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one?
5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one has a molecular weight of 182.22 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,3-bis(prop-2-enyl)imidazolidin-4-one is sourced from PubChem (CID 67865480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).