2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione

C25H25NO4 — CID 118440000

IUPAC2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione
SMILESCC1=C(CCCN2C(=O)c3ccccc3C2=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C25H25NO4/c1-14-13-19-20(15(2)25(10-11-25)24(3,30)21(19)27)16(14)9-6-12-26-22(28)17-7-4-5-8-18(17)23(26)29/h4-5,7-8,13,30H,6,9-12H2,1-3H3/t24-/m0/s1
InChIKeyNQUFFAUXVYPACJ-DEOSSOPVSA-N
MW403.48 g/mol
LogP3.75
Rot. Bonds4

About 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione

2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione (PubChem CID 118440000) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione
PubChem CID118440000
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione
SMILESCC1=C(CCCN2C(=O)c3ccccc3C2=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C25H25NO4/c1-14-13-19-20(15(2)25(10-11-25)24(3,30)21(19)27)16(14)9-6-12-26-22(28)17-7-4-5-8-18(17)23(26)29/h4-5,7-8,13,30H,6,9-12H2,1-3H3/t24-/m0/s1
InChIKeyNQUFFAUXVYPACJ-DEOSSOPVSA-N
XLogP3.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione (CID 118440000) is 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione is CC1=C(CCCN2C(=O)c3ccccc3C2=O)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1.
What is the InChIKey of 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione?
The InChIKey is NQUFFAUXVYPACJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25NO4/c1-14-13-19-20(15(2)25(10-11-25)24(3,30)21(19)27)16(14)9-6-12-26-22(28)17-7-4-5-8-18(17)23(26)29/h4-5,7-8,13,30H,6,9-12H2,1-3H3/t24-/m0/s1.
What are the key properties of 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione?
2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione has a molecular weight of 403.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 118440000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).