1-ethylpyrrole-3-carboximidamide

C7H11N3 — CID 119082207

IUPAC1-ethylpyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(CC)c1
InChIInChI=1S/C7H11N3/c1-2-10-4-3-6(5-10)7(8)9/h3-5H,2H2,1H3,(H3,8,9)
InChIKeyMXJAFJYWMREJML-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.79
Rot. Bonds2

About 1-ethylpyrrole-3-carboximidamide

1-ethylpyrrole-3-carboximidamide (PubChem CID 119082207) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1-ethylpyrrole-3-carboximidamide.

Molecular Properties

Compound Name1-ethylpyrrole-3-carboximidamide
PubChem CID119082207
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1-ethylpyrrole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccn(CC)c1
InChIInChI=1S/C7H11N3/c1-2-10-4-3-6(5-10)7(8)9/h3-5H,2H2,1H3,(H3,8,9)
InChIKeyMXJAFJYWMREJML-UHFFFAOYSA-N
XLogP0.79
TPSA54.80 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 ≤ 50.79
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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Related Compounds

4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-(1-ethyl-2-methylimidazol-4-yl)benzenecarboximidamide
CID 90124246
benzenecarboximidamide;propanoic acid
CID 159833627
1-hydroxy-6-oxopyridine-3-carboximidamide
CID 174553744
4-hexanoylbenzenecarboximidamide
CID 57228852
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
benzenecarboximidamide;sulfane
CID 172701796
4-methylphosphanylbenzenecarboximidamide
CID 156750976

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrole-3-carboximidamide?
The IUPAC name of 1-ethylpyrrole-3-carboximidamide (CID 119082207) is 1-ethylpyrrole-3-carboximidamide.
What is the SMILES notation for 1-ethylpyrrole-3-carboximidamide?
The canonical SMILES for 1-ethylpyrrole-3-carboximidamide is [H]/N=C(\N)c1ccn(CC)c1.
What is the InChIKey of 1-ethylpyrrole-3-carboximidamide?
The InChIKey is MXJAFJYWMREJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-10-4-3-6(5-10)7(8)9/h3-5H,2H2,1H3,(H3,8,9).
What are the key properties of 1-ethylpyrrole-3-carboximidamide?
1-ethylpyrrole-3-carboximidamide has a molecular weight of 137.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrole-3-carboximidamide is sourced from PubChem (CID 119082207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).