2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

C15H12N2O3 — CID 70152925

IUPAC2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(c1ccc(O)cc1)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H12N2O3/c1-9(10-2-4-11(18)5-3-10)17-14(19)12-6-7-16-8-13(12)15(17)20/h2-9,18H,1H3
InChIKeyXBCOYAQGOSOWHF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.14
Rot. Bonds2

About 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 70152925) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID70152925
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(c1ccc(O)cc1)N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C15H12N2O3/c1-9(10-2-4-11(18)5-3-10)17-14(19)12-6-7-16-8-13(12)15(17)20/h2-9,18H,1H3
InChIKeyXBCOYAQGOSOWHF-UHFFFAOYSA-N
XLogP2.14
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanenitrile
CID 63303659
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methoxypropanoic acid
CID 81078048
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
CID 63644472
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
3-(3,4-dimethoxyphenyl)-3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanoic acid
CID 152735280
2-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]-3-methylbutanoic acid
CID 65222254
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118
2-[1-(3-bromo-4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 70152940
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 107849840
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 28935072
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
2-[(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)methyl]butanoic acid
CID 65222157

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 70152925) is 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is CC(c1ccc(O)cc1)N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is XBCOYAQGOSOWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9(10-2-4-11(18)5-3-10)17-14(19)12-6-7-16-8-13(12)15(17)20/h2-9,18H,1H3.
What are the key properties of 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-hydroxyphenyl)ethyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 70152925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).