6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione

C12H10N2O2 — CID 106220357

IUPAC6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESC#CCCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C12H10N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-13-10(9)12(14)16/h1,5-7H,3-4,8H2
InChIKeyAMZGDZIFBBGRKX-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.09
Rot. Bonds3

About 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione

6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 106220357) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID106220357
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESC#CCCCN1C(=O)c2cccnc2C1=O
InChIInChI=1S/C12H10N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-13-10(9)12(14)16/h1,5-7H,3-4,8H2
InChIKeyAMZGDZIFBBGRKX-UHFFFAOYSA-N
XLogP1.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-hydroxypropyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 61206961
2-hept-6-ynylisoindole-1,3-dione
CID 154098229
2-tetradec-13-ynylisoindole-1,3-dione
CID 175946537
6-(hydroxymethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 2133484
5-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylpentanoic acid
CID 104683031
6-[2-(2-hydroxyethoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 62498637
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]acetamide
CID 113082105
4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-2-methylbutanoic acid
CID 80540196
4-chloro-2-hept-6-ynylisoindole-1,3-dione
CID 134109731
6-[[4-(aminomethyl)phenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 60998117
6-[2-(3-aminophenoxy)ethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 61032407
6-(1H-imidazol-2-ylmethyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 64531733

Frequently Asked Questions

What is the IUPAC name of 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione (CID 106220357) is 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione is C#CCCCN1C(=O)c2cccnc2C1=O.
What is the InChIKey of 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is AMZGDZIFBBGRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-2-3-4-8-14-11(15)9-6-5-7-13-10(9)12(14)16/h1,5-7H,3-4,8H2.
What are the key properties of 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione?
6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 214.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pent-4-ynylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 106220357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).