(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione

C19H17NO4 — CID 155811869

IUPAC(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione
SMILESCOC1=C(C)C(=O)N2[C@@H]1[C@H](c1ccccc1)OC21C=CC(=O)C=C1
InChIInChI=1S/C19H17NO4/c1-12-16(23-2)15-17(13-6-4-3-5-7-13)24-19(20(15)18(12)22)10-8-14(21)9-11-19/h3-11,15,17H,1-2H3/t15-,17-/m0/s1
InChIKeyBYMYFBAETFNIPY-RDJZCZTQSA-N
MW323.35 g/mol
LogP2.28
Rot. Bonds2

About (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione

(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione (PubChem CID 155811869) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione.

Molecular Properties

Compound Name(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione
PubChem CID155811869
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione
SMILESCOC1=C(C)C(=O)N2[C@@H]1[C@H](c1ccccc1)OC21C=CC(=O)C=C1
InChIInChI=1S/C19H17NO4/c1-12-16(23-2)15-17(13-6-4-3-5-7-13)24-19(20(15)18(12)22)10-8-14(21)9-11-19/h3-11,15,17H,1-2H3/t15-,17-/m0/s1
InChIKeyBYMYFBAETFNIPY-RDJZCZTQSA-N
XLogP2.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione?
The IUPAC name of (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione (CID 155811869) is (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione.
What is the SMILES notation for (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione?
The canonical SMILES for (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione is COC1=C(C)C(=O)N2[C@@H]1[C@H](c1ccccc1)OC21C=CC(=O)C=C1.
What is the InChIKey of (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione?
The InChIKey is BYMYFBAETFNIPY-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-16(23-2)15-17(13-6-4-3-5-7-13)24-19(20(15)18(12)22)10-8-14(21)9-11-19/h3-11,15,17H,1-2H3/t15-,17-/m0/s1.
What are the key properties of (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione?
(1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione has a molecular weight of 323.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7aR)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione is sourced from PubChem (CID 155811869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).