(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione

C15H19NO3 — CID 98277402

IUPAC(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)COc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)9-19-13-5-3-11(4-6-13)7-12-8-14(17)16-15(12)18/h3-6,10,12H,7-9H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyACDDRIQVCWMAEB-GFCCVEGCSA-N
MW261.32 g/mol
LogP1.93
Rot. Bonds5

About (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione

(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 98277402) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID98277402
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)COc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
InChIInChI=1S/C15H19NO3/c1-10(2)9-19-13-5-3-11(4-6-13)7-12-8-14(17)16-15(12)18/h3-6,10,12H,7-9H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyACDDRIQVCWMAEB-GFCCVEGCSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
(2S)-N-[4-[[(3R)-2,5-dioxopyrrolidin-3-yl]methyl]phenyl]-2-(3-methylbutoxy)propanamide
CID 98182993
2-[[4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193376
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-methylpentanamide
CID 119798822
3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 110457723
N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-phenylpentanamide
CID 58870349
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-3-yl)methyl]benzoate
CID 166212951
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 120868313

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione (CID 98277402) is (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione is CC(C)COc1ccc(C[C@@H]2CC(=O)NC2=O)cc1.
What is the InChIKey of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is ACDDRIQVCWMAEB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(2)9-19-13-5-3-11(4-6-13)7-12-8-14(17)16-15(12)18/h3-6,10,12H,7-9H2,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione?
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 98277402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).