7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione

C19H27N3O4 — CID 162992234

IUPAC7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
SMILESCc1ccc(CN2C(=O)C3CC(O)CN3C3(CN(CC(C)C)C3)C2=O)o1
InChIInChI=1S/C19H27N3O4/c1-12(2)7-20-10-19(11-20)18(25)21(9-15-5-4-13(3)26-15)17(24)16-6-14(23)8-22(16)19/h4-5,12,14,16,23H,6-11H2,1-3H3
InChIKeySAZMFDPVRYKNQI-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.60
Rot. Bonds4

About 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione

7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione (PubChem CID 162992234) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione.

Molecular Properties

Compound Name7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
PubChem CID162992234
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
SMILESCc1ccc(CN2C(=O)C3CC(O)CN3C3(CN(CC(C)C)C3)C2=O)o1
InChIInChI=1S/C19H27N3O4/c1-12(2)7-20-10-19(11-20)18(25)21(9-15-5-4-13(3)26-15)17(24)16-6-14(23)8-22(16)19/h4-5,12,14,16,23H,6-11H2,1-3H3
InChIKeySAZMFDPVRYKNQI-UHFFFAOYSA-N
XLogP0.60
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The IUPAC name of 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione (CID 162992234) is 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione.
What is the SMILES notation for 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The canonical SMILES for 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione is Cc1ccc(CN2C(=O)C3CC(O)CN3C3(CN(CC(C)C)C3)C2=O)o1.
What is the InChIKey of 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
The InChIKey is SAZMFDPVRYKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-12(2)7-20-10-19(11-20)18(25)21(9-15-5-4-13(3)26-15)17(24)16-6-14(23)8-22(16)19/h4-5,12,14,16,23H,6-11H2,1-3H3.
What are the key properties of 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione?
7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione has a molecular weight of 361.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-[(5-methylfuran-2-yl)methyl]-1'-(2-methylpropyl)spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione is sourced from PubChem (CID 162992234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).