2-ethylpyrrole-2-carboximidamide

C7H11N3 — CID 57210060

IUPAC2-ethylpyrrole-2-carboximidamide
SMILES[H]/N=C(\N)C1(CC)C=CC=N1
InChIInChI=1S/C7H11N3/c1-2-7(6(8)9)4-3-5-10-7/h3-5H,2H2,1H3,(H3,8,9)
InChIKeyZGSSAMMZYVPOMD-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.71
Rot. Bonds2

About 2-ethylpyrrole-2-carboximidamide

2-ethylpyrrole-2-carboximidamide (PubChem CID 57210060) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-ethylpyrrole-2-carboximidamide.

Molecular Properties

Compound Name2-ethylpyrrole-2-carboximidamide
PubChem CID57210060
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-ethylpyrrole-2-carboximidamide
SMILES[H]/N=C(\N)C1(CC)C=CC=N1
InChIInChI=1S/C7H11N3/c1-2-7(6(8)9)4-3-5-10-7/h3-5H,2H2,1H3,(H3,8,9)
InChIKeyZGSSAMMZYVPOMD-UHFFFAOYSA-N
XLogP0.71
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrrole-2-carboximidamide?
The IUPAC name of 2-ethylpyrrole-2-carboximidamide (CID 57210060) is 2-ethylpyrrole-2-carboximidamide.
What is the SMILES notation for 2-ethylpyrrole-2-carboximidamide?
The canonical SMILES for 2-ethylpyrrole-2-carboximidamide is [H]/N=C(\N)C1(CC)C=CC=N1.
What is the InChIKey of 2-ethylpyrrole-2-carboximidamide?
The InChIKey is ZGSSAMMZYVPOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-7(6(8)9)4-3-5-10-7/h3-5H,2H2,1H3,(H3,8,9).
What are the key properties of 2-ethylpyrrole-2-carboximidamide?
2-ethylpyrrole-2-carboximidamide has a molecular weight of 137.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrrole-2-carboximidamide is sourced from PubChem (CID 57210060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).