2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione

C16H10N2O3 — CID 63303967

IUPAC2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1ccccc1C#CCO
InChIInChI=1S/C16H10N2O3/c19-9-3-5-11-4-1-2-6-14(11)18-15(20)12-7-8-17-10-13(12)16(18)21/h1-2,4,6-8,10,19H,9H2
InChIKeyORBXPZSDTODLAL-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.23
Rot. Bonds1

About 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 63303967) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID63303967
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1c1ccccc1C#CCO
InChIInChI=1S/C16H10N2O3/c19-9-3-5-11-4-1-2-6-14(11)18-15(20)12-7-8-17-10-13(12)16(18)21/h1-2,4,6-8,10,19H,9H2
InChIKeyORBXPZSDTODLAL-UHFFFAOYSA-N
XLogP1.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 63303967) is 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1c1ccccc1C#CCO.
What is the InChIKey of 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is ORBXPZSDTODLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-9-3-5-11-4-1-2-6-14(11)18-15(20)12-7-8-17-10-13(12)16(18)21/h1-2,4,6-8,10,19H,9H2.
What are the key properties of 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 278.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 63303967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).