1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione

C12H13NO3 — CID 114332824

IUPAC1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccccc2O)C1=O
InChIInChI=1S/C12H13NO3/c1-8-6-11(15)13(12(8)16)7-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3
InChIKeyMVPCSFGEYZBORC-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.29
Rot. Bonds2

About 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione

1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 114332824) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
PubChem CID114332824
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(Cc2ccccc2O)C1=O
InChIInChI=1S/C12H13NO3/c1-8-6-11(15)13(12(8)16)7-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3
InChIKeyMVPCSFGEYZBORC-UHFFFAOYSA-N
XLogP1.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 82969909
2-methyl-2-[2-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanenitrile
CID 75392464
2-amino-6-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]benzoic acid
CID 104824948
3-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-2-carbothioamide
CID 55128079
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
2-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]phenyl]acetic acid
CID 105345382
1-[(2-bromo-3-nitrophenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 114048693
1-[(2-chloroquinolin-3-yl)methyl]-3-methylpyrrolidine-2,5-dione
CID 61237931
1-[[4-(aminomethyl)phenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 54980098
2-[2-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]phenyl]acetic acid
CID 81318118
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylpyrrolidine-2,5-dione
CID 62019696
2-[(2-hydroxyphenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114332832

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione (CID 114332824) is 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(Cc2ccccc2O)C1=O.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is MVPCSFGEYZBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-6-11(15)13(12(8)16)7-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione?
1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 114332824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).