(7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium

C15H16NO3Rf- — CID 59869963

About (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium

(7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium (PubChem CID 59869963) has the molecular formula C15H16NO3Rf- and a molecular weight of 525.30 g/mol. Its IUPAC name is (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium.

Molecular Properties

• Compound Name: (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium
• PubChem CID: 59869963
• Molecular Formula: C15H16NO3Rf-
• Molecular Weight: 525.30 g/mol
• Exact Mass: 525.24
• IUPAC Name: (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium
• SMILES: CC1C(=O)N2C(c3ccccc3)OC[C@@]2([C-]=O)C1C.[Rf]
• InChI: InChI=1S/C15H16NO3.Rf/c1-10-11(2)15(8-17)9-19-14(16(15)13(10)18)12-6-4-3-5-7-12;/h3-7,10-11,14H,9H2,1-2H3;/q-1;/t10?,11?,14?,15-;/m0./s1
• InChIKey: JKDCDISULITMRM-VONFCMJESA-N
• XLogP: 1.68
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.30
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium?

The IUPAC name of (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium (CID 59869963) is (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium.

What is the SMILES notation for (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium?

The canonical SMILES for (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium is CC1C(=O)N2C(c3ccccc3)OC[C@@]2([C-]=O)C1C.[Rf].

What is the InChIKey of (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium?

The InChIKey is JKDCDISULITMRM-VONFCMJESA-N. The full InChI is InChI=1S/C15H16NO3.Rf/c1-10-11(2)15(8-17)9-19-14(16(15)13(10)18)12-6-4-3-5-7-12;/h3-7,10-11,14H,9H2,1-2H3;/q-1;/t10?,11?,14?,15-;/m0./s1.

What are the key properties of (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium?

(7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium has a molecular weight of 525.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7aR)-6,7-dimethyl-7a-(oxomethyl)-3-phenyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one;rutherfordium is sourced from PubChem (CID 59869963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).