(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

C15H24N2O4 — CID 97402729

IUPAC(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
SMILESCC(C)CN1C(=O)CO[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21
InChIInChI=1S/C15H24N2O4/c1-10(2)6-17-11-7-16(8-13(11)21-9-14(17)18)15(19)12-4-3-5-20-12/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyUXZBZYYYBPDWGP-JHJVBQTASA-N
MW296.37 g/mol
LogP0.26
Rot. Bonds3

About (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one

(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one (PubChem CID 97402729) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
PubChem CID97402729
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
SMILESCC(C)CN1C(=O)CO[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21
InChIInChI=1S/C15H24N2O4/c1-10(2)6-17-11-7-16(8-13(11)21-9-14(17)18)15(19)12-4-3-5-20-12/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyUXZBZYYYBPDWGP-JHJVBQTASA-N
XLogP0.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The IUPAC name of (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one (CID 97402729) is (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The canonical SMILES for (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one is CC(C)CN1C(=O)CO[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]21.
What is the InChIKey of (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
The InChIKey is UXZBZYYYBPDWGP-JHJVBQTASA-N. The full InChI is InChI=1S/C15H24N2O4/c1-10(2)6-17-11-7-16(8-13(11)21-9-14(17)18)15(19)12-4-3-5-20-12/h10-13H,3-9H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one?
(4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one has a molecular weight of 296.37 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-4-(2-methylpropyl)-6-[(2R)-oxolane-2-carbonyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one is sourced from PubChem (CID 97402729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).