5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione

C9H14N2O3 — CID 101336077

IUPAC5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N(CCC)C(=O)C1O
InChIInChI=1S/C9H14N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3,7,12H,1,4-6H2,2H3
InChIKeyDJQZXDOJVZDQFH-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.17
Rot. Bonds4

About 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione

5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione (PubChem CID 101336077) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione
PubChem CID101336077
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione
SMILESC=CCN1C(=O)N(CCC)C(=O)C1O
InChIInChI=1S/C9H14N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3,7,12H,1,4-6H2,2H3
InChIKeyDJQZXDOJVZDQFH-UHFFFAOYSA-N
XLogP0.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dihydroxy-1,3-bis(prop-2-enyl)imidazolidin-2-one
CID 70257866
1-methyl-4-(2-methylpropyl)-3-prop-2-enyl-1,3-diazetidin-2-one
CID 135080777
1-ethyl-3,5-dihydroxyimidazolidine-2,4-dione
CID 66586311
(6R)-3-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169159
1-methyl-3-propyl-5-sulfanylimidazolidine-2,4-dione
CID 87233887
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
3-prop-2-enyl-5-propylimidazolidine-2,4-dione
CID 170447663
3-hydroxy-1-propyl-3H-indol-2-one
CID 90417958
1-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234300
1-butyl-3-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 89280580
(5S,6R)-5-hydroxy-6-methyl-1-prop-2-enylpiperidin-2-one
CID 118169161
3a-methyl-1,3,4,6-tetrakis(prop-2-enyl)-6aH-imidazo[4,5-d]imidazole-2,5-dione
CID 122583244

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione (CID 101336077) is 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione is C=CCN1C(=O)N(CCC)C(=O)C1O.
What is the InChIKey of 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione?
The InChIKey is DJQZXDOJVZDQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-5-10-7(12)8(13)11(6-4-2)9(10)14/h3,7,12H,1,4-6H2,2H3.
What are the key properties of 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione?
5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-prop-2-enyl-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 101336077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).