(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione

C7H11N3O2 — CID 66907470

IUPAC(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H]([C@@H]2CCCN2)N1
InChIInChI=1S/C7H11N3O2/c11-6-5(9-7(12)10-6)4-2-1-3-8-4/h4-5,8H,1-3H2,(H2,9,10,11,12)/t4-,5+/m0/s1
InChIKeyGEYBFJKLVZQQTO-CRCLSJGQSA-N
MW169.18 g/mol
LogP-1.05
Rot. Bonds1

About (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione

(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione (PubChem CID 66907470) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
PubChem CID66907470
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@H]([C@@H]2CCCN2)N1
InChIInChI=1S/C7H11N3O2/c11-6-5(9-7(12)10-6)4-2-1-3-8-4/h4-5,8H,1-3H2,(H2,9,10,11,12)/t4-,5+/m0/s1
InChIKeyGEYBFJKLVZQQTO-CRCLSJGQSA-N
XLogP-1.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
CID 102319648
4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 45024460
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772
4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 15773209
(4R,5R)-4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 24884185
(3S)-3-[(2R)-pyrrolidin-2-yl]pyrrolidin-2-one
CID 178194652
(5S)-5-[(1S,2S)-2-chlorocyclohexyl]imidazolidine-2,4-dione
CID 92843738
(1S,6R)-2,4-diazabicyclo[4.1.0]heptane-3,5-dione
CID 55287478
(4aR,9aS)-1,2,3,4,4a,5,7,8,9,9a-decahydropyrido[3,2-b]azepin-6-one
CID 154878689
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 58044710
2-pyrrolidin-2-ylpiperidine
CID 14810994
(2R)-2-[(2S)-pyrrolidin-2-yl]cyclopentan-1-one
CID 97048991

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione (CID 66907470) is (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@H]([C@@H]2CCCN2)N1.
What is the InChIKey of (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione?
The InChIKey is GEYBFJKLVZQQTO-CRCLSJGQSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-6-5(9-7(12)10-6)4-2-1-3-8-4/h4-5,8H,1-3H2,(H2,9,10,11,12)/t4-,5+/m0/s1.
What are the key properties of (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione?
(5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione has a molecular weight of 169.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-pyrrolidin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 66907470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).