(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine

C11H10N2O4 — CID 68803398

IUPAC(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine
SMILESO=C(O)/C=C\C(=O)O.c1cc2cc[nH]c2cn1
InChIInChI=1S/C7H6N2.C4H4O4/c1-3-8-5-7-6(1)2-4-9-7;5-3(6)1-2-4(7)8/h1-5,9H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyRSFRHLWUCYITRA-BTJKTKAUSA-N
MW234.21 g/mol
LogP1.27
Rot. Bonds2

About (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine

(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine (PubChem CID 68803398) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine
PubChem CID68803398
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine
SMILESO=C(O)/C=C\C(=O)O.c1cc2cc[nH]c2cn1
InChIInChI=1S/C7H6N2.C4H4O4/c1-3-8-5-7-6(1)2-4-9-7;5-3(6)1-2-4(7)8/h1-5,9H;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyRSFRHLWUCYITRA-BTJKTKAUSA-N
XLogP1.27
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine (CID 68803398) is (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine is O=C(O)/C=C\C(=O)O.c1cc2cc[nH]c2cn1.
What is the InChIKey of (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine?
The InChIKey is RSFRHLWUCYITRA-BTJKTKAUSA-N. The full InChI is InChI=1S/C7H6N2.C4H4O4/c1-3-8-5-7-6(1)2-4-9-7;5-3(6)1-2-4(7)8/h1-5,9H;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine?
(Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine has a molecular weight of 234.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 68803398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).