1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione

C22H25NO3 — CID 170132366

IUPAC1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C22H25NO3/c1-26-22(21-16-8-13-7-14(10-16)11-17(21)9-13)15-3-2-4-18(12-15)23-19(24)5-6-20(23)25/h2-4,12-14,16-17H,5-11H2,1H3/b22-21-
InChIKeyKWTQKNCKVDRXPU-DQRAZIAOSA-N
MW351.45 g/mol
LogP4.15
Rot. Bonds3

About 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione

1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione (PubChem CID 170132366) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione
PubChem CID170132366
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C22H25NO3/c1-26-22(21-16-8-13-7-14(10-16)11-17(21)9-13)15-3-2-4-18(12-15)23-19(24)5-6-20(23)25/h2-4,12-14,16-17H,5-11H2,1H3/b22-21-
InChIKeyKWTQKNCKVDRXPU-DQRAZIAOSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione (CID 170132366) is 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione is COC(=C1C2CC3CC(C2)CC1C3)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is KWTQKNCKVDRXPU-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H25NO3/c1-26-22(21-16-8-13-7-14(10-16)11-17(21)9-13)15-3-2-4-18(12-15)23-19(24)5-6-20(23)25/h2-4,12-14,16-17H,5-11H2,1H3/b22-21-.
What are the key properties of 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione?
1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 351.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-adamantylidene(methoxy)methyl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 170132366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).