(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C19H20N2O3 — CID 125140213

IUPAC(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@H]2CCCN2C(=O)N1C[C@H](O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2/t16-,17-/m1/s1
InChIKeyNVKYDYMABVGNKN-IAGOWNOFSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds4

About (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 125140213) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID125140213
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@H]2CCCN2C(=O)N1C[C@H](O)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2/t16-,17-/m1/s1
InChIKeyNVKYDYMABVGNKN-IAGOWNOFSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7aS)-2-[(2S)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 125140214
(7aS)-2-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 95151463
(8aR)-2-[(2S)-2-hydroxy-3-phenoxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94796145
(7aR)-2-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94182311
2-[2-(2-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42946430
(7aR)-2-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 92806988
(8aR)-2-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97262724
(7aR)-2-[(2S)-3-(3-acetylphenoxy)-2-hydroxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94017448
(8aR)-2-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 94825862
(7aS)-2-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 94189877
(8aS)-2-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 52541592
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668

Frequently Asked Questions

What is the IUPAC name of (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 125140213) is (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1[C@H]2CCCN2C(=O)N1C[C@H](O)Cc1ccc2ccccc2c1.
What is the InChIKey of (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is NVKYDYMABVGNKN-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16(11-13-7-8-14-4-1-2-5-15(14)10-13)12-21-18(23)17-6-3-9-20(17)19(21)24/h1-2,4-5,7-8,10,16-17,22H,3,6,9,11-12H2/t16-,17-/m1/s1.
What are the key properties of (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
(7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-[(2R)-2-hydroxy-3-naphthalen-2-ylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 125140213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).