(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C18H21N3O4 — CID 124729104

IUPAC(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCO[C@@H]1C[C@@H]2C(=O)N([C@H]3C[C@H](C)N(c4ccccc4)C3=O)C(=O)N2C1
InChIInChI=1S/C18H21N3O4/c1-11-8-15(17(23)20(11)12-6-4-3-5-7-12)21-16(22)14-9-13(25-2)10-19(14)18(21)24/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13+,14+,15-/m0/s1
InChIKeyFRCLDYYMARXZQZ-MYPMTAMASA-N
MW343.38 g/mol
LogP1.23
Rot. Bonds3

About (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 124729104) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID124729104
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCO[C@@H]1C[C@@H]2C(=O)N([C@H]3C[C@H](C)N(c4ccccc4)C3=O)C(=O)N2C1
InChIInChI=1S/C18H21N3O4/c1-11-8-15(17(23)20(11)12-6-4-3-5-7-12)21-16(22)14-9-13(25-2)10-19(14)18(21)24/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13+,14+,15-/m0/s1
InChIKeyFRCLDYYMARXZQZ-MYPMTAMASA-N
XLogP1.23
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6R,7aR)-6-methoxy-2-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124729107
(6R,7aS)-6-methoxy-2-[(1R)-2-methyl-1-phenylpropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 100637780
2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 43558111
2-ethyl-4-methoxy-1-phenylpyrrolidine
CID 154695448
(6R,7aR)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728860
(6R,7aS)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728858
3-methyl-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)but-2-enamide
CID 71998925
(3S,5S)-5-methyl-1-phenyl-3-(2-phenylethylamino)pyrrolidin-2-one
CID 6335691
1-(4-methoxyphenyl)-5-methyl-2-oxopyrrolidine-3-carboxylic acid
CID 140843821
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
CID 138706686
3-amino-1,5-diphenylpyrrolidin-2-one
CID 131864676
2-chloro-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 146085997

Frequently Asked Questions

What is the IUPAC name of (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 124729104) is (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is CO[C@@H]1C[C@@H]2C(=O)N([C@H]3C[C@H](C)N(c4ccccc4)C3=O)C(=O)N2C1.
What is the InChIKey of (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is FRCLDYYMARXZQZ-MYPMTAMASA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-8-15(17(23)20(11)12-6-4-3-5-7-12)21-16(22)14-9-13(25-2)10-19(14)18(21)24/h3-7,11,13-15H,8-10H2,1-2H3/t11-,13+,14+,15-/m0/s1.
What are the key properties of (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 124729104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).