1-methylpyrrole-2,5-dicarboxamide

C7H9N3O2 — CID 141229760

IUPAC1-methylpyrrole-2,5-dicarboxamide
SMILESCn1c(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C7H9N3O2/c1-10-4(6(8)11)2-3-5(10)7(9)12/h2-3H,1H3,(H2,8,11)(H2,9,12)
InChIKeyJEFRUXVBUSHGOM-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.78
Rot. Bonds2

About 1-methylpyrrole-2,5-dicarboxamide

1-methylpyrrole-2,5-dicarboxamide (PubChem CID 141229760) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-methylpyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name1-methylpyrrole-2,5-dicarboxamide
PubChem CID141229760
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-methylpyrrole-2,5-dicarboxamide
SMILESCn1c(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C7H9N3O2/c1-10-4(6(8)11)2-3-5(10)7(9)12/h2-3H,1H3,(H2,8,11)(H2,9,12)
InChIKeyJEFRUXVBUSHGOM-UHFFFAOYSA-N
XLogP-0.78
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-2,5-dicarboxamide?
The IUPAC name of 1-methylpyrrole-2,5-dicarboxamide (CID 141229760) is 1-methylpyrrole-2,5-dicarboxamide.
What is the SMILES notation for 1-methylpyrrole-2,5-dicarboxamide?
The canonical SMILES for 1-methylpyrrole-2,5-dicarboxamide is Cn1c(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 1-methylpyrrole-2,5-dicarboxamide?
The InChIKey is JEFRUXVBUSHGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10-4(6(8)11)2-3-5(10)7(9)12/h2-3H,1H3,(H2,8,11)(H2,9,12).
What are the key properties of 1-methylpyrrole-2,5-dicarboxamide?
1-methylpyrrole-2,5-dicarboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-2,5-dicarboxamide is sourced from PubChem (CID 141229760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).