2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C16H20N2O4 — CID 51283472

IUPAC2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)COCc1ccccc1
InChIInChI=1S/C16H20N2O4/c19-13(11-22-10-12-5-2-1-3-6-12)9-18-15(20)14-7-4-8-17(14)16(18)21/h1-3,5-6,13-14,19H,4,7-11H2
InChIKeyXGUGTMWPAWUBFT-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.99
Rot. Bonds6

About 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 51283472) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID51283472
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2CCCN2C(=O)N1CC(O)COCc1ccccc1
InChIInChI=1S/C16H20N2O4/c19-13(11-22-10-12-5-2-1-3-6-12)9-18-15(20)14-7-4-8-17(14)16(18)21/h1-3,5-6,13-14,19H,4,7-11H2
InChIKeyXGUGTMWPAWUBFT-UHFFFAOYSA-N
XLogP0.99
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 51283472) is 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2CCCN2C(=O)N1CC(O)COCc1ccccc1.
What is the InChIKey of 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is XGUGTMWPAWUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-13(11-22-10-12-5-2-1-3-6-12)9-18-15(20)14-7-4-8-17(14)16(18)21/h1-3,5-6,13-14,19H,4,7-11H2.
What are the key properties of 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylmethoxypropyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 51283472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).