5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one

C13H16N2O2 — CID 146036956

IUPAC5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one
SMILES[H]/N=C1\C(=O)NC(Cc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C13H16N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10,14,16H,7H2,1-2H3,(H,15,17)/b14-11+
InChIKeyRMXPIGPTRDTXGT-SDNWHVSQSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds2

About 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one

5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one (PubChem CID 146036956) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one
PubChem CID146036956
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one
SMILES[H]/N=C1\C(=O)NC(Cc2ccc(O)cc2)C1(C)C
InChIInChI=1S/C13H16N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10,14,16H,7H2,1-2H3,(H,15,17)/b14-11+
InChIKeyRMXPIGPTRDTXGT-SDNWHVSQSA-N
XLogP1.48
TPSA73.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-N-oleoyltyrosinol
CID 10410511
(alphaS)-N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)benzenepropanamide
CID 159548
(Z)-N-[(2R)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
CID 6604915
1-[(2S)-2-[5-(4-hydroxyphenyl)pentanoyl]pyrrolidin-1-yl]-3,3-dimethylpentane-1,2-dione
CID 10407013
L-prolyl-L-tyrosine
CID 152264
Segetalin G
CID 10436647
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 15550385
(9Z)-N-[2-(4-Hydroxyphenyl)ethyl]-9-octadecenamide
CID 44441629
N-Acetyl-L-tyrosinamide
CID 735956
N-[(S)-1-(11-Amino-undecylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-butyramide
CID 10047720
Ypaa-NH2
CID 44577307
(R)-N-oleoyltyrosinol
CID 73755147

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one (CID 146036956) is 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one is [H]/N=C1\C(=O)NC(Cc2ccc(O)cc2)C1(C)C.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one?
The InChIKey is RMXPIGPTRDTXGT-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10,14,16H,7H2,1-2H3,(H,15,17)/b14-11+.
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one?
5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-3-imino-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 146036956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).